Single-crystal, synchrotron powder X-ray diffraction and neutron powder diffraction studies of the novel pyrochlore-type compound with the structural formula K0.88(OH)0.54H1.66(H2O)1.04Nb2O6 suggests that the water molecules are located in 32e sites, and the hydroxide ions and potassium ions are located in 16d sites with a significant amount of `free' protons in 96g sites. The total weight loss at temperatures up to 773 K is only about 8%, suggesting the oxygen escape from 48f sites can be excluded and `free' protons must be preserved in the structure. The bulk conductivity in ambient air reaches 10−2 S cm−1 at 623 K. Owing to the extended stability range and resistance to water solubility, the compound can be considered as a candidate for intermediate temperature solid-oxide fuel-cell applications.
Supporting information
Data collection: WinAFC for 173K, 300K, 373K. Cell refinement: Chekcell for (I); WinAFC for 173K, 300K, 373K. Data reduction: CrystalStructure for 173K, 300K, 373K. Program(s) used to solve structure: FOX for (I). Program(s) used to refine structure: FullProf for (I); CRYSTALS for 173K, 300K, 373K. Molecular graphics: Diamond 3.0 demo version for (I). Software used to prepare material for publication: CrystalStructure 3.6.0 for 173K, 300K, 373K.
potassium hydrogen niobate hydroxide hydrate (I)
top
Crystal data top
Nb8O24·0.13(O32)·25.92(O0.08)·17.14(H)·42.24(K0.08) | Dx = 3.797 Mg m−3 |
Mr = 1383.31 | Neutron radiation, λ = 1.826500 Å |
Cubic, FD3M:1 | T = 300 K |
a = 10.6554 (2) Å | Particle morphology: octahedral |
V = 1209.79 (4) Å3 | white |
Z = 2 | cylinder, 50 × 8 mm |
F(000) = 230 | |
Data collection top
HERMES powder diffractometer | Data collection mode: reflection |
Radiation source: JRR-3, reactor | Scan method: continuous |
Specimen mounting: vanadium container | 2θmin = 7°, 2θmax = 156.8°, 2θstep = 0.1° |
Refinement top
Rp = 1.98 | Profile function: Pseudo-Voight |
Rwp = 2.54 | 21 parameters |
Rexp = 1.72 | 5 constraints |
R(F2) = 6.17 | H |
1499 data points | Background function: polynomial |
Excluded region(s): 0 | |
Special details top
Refinement. occupancies of Nb, K, O2, H and the sum Occ.(O1)+Occ.(O3) are fixed according
to the chemical composition determine by ICP and Atomic absopbtion analysis |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Nb | 0.1250 | 0.1250 | 0.1250 | 0.01558 | |
O1 | 0.6250 | 0.6250 | 0.6250 | 0.10728 | 0.270 |
O2 | 0.4355 (11) | 0.2500 | 0.2500 | 0.00325 | |
K | 0.6250 | 0.6250 | 0.6250 | 0.00694 | 0.440 |
O3 | 0.5556 (7) | 0.5556 (7) | 0.5556 (7) | 0.04296 | 0.260 |
H | 0.6701 (13) | 0.5446 (8) | 0.5446 (8) | 0.16588 | 0.357 |
Crystal data top
K0.71NbO3.5 | Dx = 0.994 Mg m−3 Dm = 3.000 Mg m−3 Dm measured by ? |
Mr = 180.00 | Mo Kα radiation, λ = 0.7107 Å |
Cubic, Fd3m:1 | Cell parameters from 4 reflections |
Hall symbol: -F 4vw 2vw 3 | θ = 6.6–7.7° |
a = 10.635 (4) Å | µ = 1.29 mm−1 |
V = 1202.8 (8) Å3 | T = 298 K |
Z = 4 | Prismatic, colorless |
F(000) = 336.00 | 0.10 × 0.10 × 0.10 mm |
Data collection top
Rigaku AFC7R diffractometer | θmax = 44.7° |
ω–2θ scans | h = −7→21 |
373 measured reflections | k = −14→5 |
344 independent reflections | l = −4→12 |
154 reflections with F2 > 2.0σ(F2) | 3 standard reflections every 0 reflections |
Rint = 0.041 | intensity decay: 0.00% |
Refinement top
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/σ2(Fo) |
R[F2 > 2σ(F2)] = 0.043 | (Δ/σ)max = 0.105 |
wR(F2) = 0.060 | Δρmax = 13.20 e Å−3 |
S = 1.83 | Δρmin = −22.40 e Å−3 |
344 reflections | Extinction correction: Larson (1970) Crystallographic Computing eq. 22 |
12 parameters | Extinction coefficient: 137 (14) |
Special details top
Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY |
Refinement. Refinement using all reflections. The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are
based on F, with F set to zero for negative F. The threshold expression of
F2 > 2.0 sigma(F2) is used only for calculating R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Nb(900) | 0.2500 | 0.2500 | 0.0000 | 0.0213 (4) | |
K(901) | 0.5000 | −0.2500 | −0.2500 | 0.024 (1) | 0.71 |
O(1) | 0.1250 | 0.3136 (7) | 0.1250 | 0.010 (1) | |
O(2) | 0.3750 | 0.3750 | 0.3750 | 1.0 (4) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Nb(900) | 0.0213 (8) | 0.0213 (8) | 0.0213 (8) | −0.0041 (6) | 0.0041 (6) | 0.0041 (6) |
K(901) | 0.024 (2) | 0.024 (2) | 0.024 (2) | −0.014 (2) | −0.014 (2) | 0.014 (2) |
O(1) | 0.009 (2) | 0.012 (4) | 0.009 (2) | 0.0000 | 0.004 (3) | 0.0000 |
O(2) | 2.0 (7) | 2.0 (7) | 2.0 (7) | 0.0000 | 0.0000 | 0.0000 |
Geometric parameters (Å, º) top
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—Nb(900) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—K(901) | 3.76 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(1) | 2.732 (5) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(1) | 2.732 (5) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(1) | 2.732 (3) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(1) | 2.732 (3) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(1) | 2.732 (3) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(1) | 2.732 (3) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(2) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | K(901)—O(2) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(1)—Nb(900) | 1.998 (2) |
Nb(900)—K(901) | 3.76 (6) | O(1)—K(901) | 2.732 (5) |
Nb(900)—K(901) | 3.76 (6) | O(1)—K(901) | 2.732 (5) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—K(901) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
Nb(900)—O(1) | 1.998 (2) | O(2)—K(901) | 2.30 (6) |
Nb(900)—O(1) | 1.998 (5) | O(2)—K(901) | 2.30 (6) |
Nb(900)—O(1) | 1.998 (5) | O(2)—K(901) | 2.30 (6) |
Nb(900)—O(1) | 1.998 (5) | O(2)—K(901) | 2.30 (6) |
Nb(900)—O(1) | 1.998 (2) | O(2)—K(901) | 2.30 (6) |
Nb(900)—O(1) | 1.998 (5) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
K(901)—Nb(900) | 3.76 (6) | O(2)—K(901) | 2.30 (6) |
| | | |
O(1)···O(1) | 2.837 (7) | O(1)···O(2) | 3.311 (7) |
O(1)···O(1) | 2.837 (7) | O(2)···O(1) | 3.3115 (1) |
O(1)···O(1) | 2.837 (7) | O(2)···O(1) | 3.3115 (1) |
O(1)···O(1) | 2.814 (2) | O(2)···O(1) | 3.311 (7) |
O(1)···O(1) | 2.814 (2) | O(2)···O(1) | 3.3115 (1) |
O(1)···O(1) | 2.837 (7) | O(2)···O(1) | 3.311 (7) |
O(1)···O(1) | 2.814 (2) | O(2)···O(1) | 3.3115 (1) |
O(1)···O(1) | 2.814 (2) | | |
| | | |
Nb(900)—K(901)—Nb(900) | 60 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—Nb(900) | 149.00 (2) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—Nb(900)—O(1) | 44.8 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | O(1)—K(901)—Nb(900) | 31.00 (2) |
K(901)—Nb(900)—K(901) | 60 (1) | K(901)—Nb(900)—O(1) | 44.77 (7) |
Nb(900)—K(901)—K(901) | 60 (1) | O(1)—K(901)—Nb(900) | 31.00 (8) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—Nb(900)—O(1) | 90.0 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | O(1)—K(901)—Nb(900) | 149.00 (8) |
K(901)—Nb(900)—K(901) | 179 (2) | O(1)—K(901)—Nb(900) | 90.0 (1) |
Nb(900)—K(901)—O(1) | 31.00 (2) | O(1)—K(901)—Nb(900) | 90.0 (1) |
O(1)—Nb(900)—K(901) | 44.8 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—Nb(900)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—Nb(900) | 60 (1) |
Nb(900)—K(901)—O(1) | 31.00 (8) | K(901)—K(901)—Nb(900) | 119 (1) |
O(1)—Nb(900)—K(901) | 44.77 (7) | O(2)—K(901)—Nb(900) | 90 (1) |
O(1)—Nb(900)—K(901) | 135.2 (1) | K(901)—K(901)—Nb(900) | 89 (1) |
O(1)—Nb(900)—K(901) | 135.23 (7) | K(901)—Nb(900)—K(901) | 60 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | K(901)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—O(2) | 90 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—Nb(900)—O(1) | 90.0000 |
Nb(900)—K(901)—O(1) | 149.00 (8) | K(901)—Nb(900)—O(1) | 44.8 (1) |
Nb(900)—K(901)—Nb(900) | 179 (2) | O(1)—K(901)—Nb(900) | 31.0 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—Nb(900) | 149.0 (1) |
Nb(900)—K(901)—K(901) | 119 (1) | K(901)—Nb(900)—O(1) | 44.8 (1) |
Nb(900)—K(901)—O(1) | 149.00 (2) | O(1)—K(901)—Nb(900) | 31.0 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—Nb(900) | 149.0 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—Nb(900)—O(1) | 90.0000 |
Nb(900)—K(901)—K(901) | 59 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—K(901)—K(901) | 119 (1) |
K(901)—Nb(900)—K(901) | 179 (2) | K(901)—K(901)—K(901) | 119 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | O(2)—K(901)—K(901) | 144 (2) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 135.2 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—O(1) | 31.00 (8) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 44.77 (7) | K(901)—K(901)—K(901) | 179 (2) |
O(1)—Nb(900)—K(901) | 135.23 (7) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—O(1) | 31.00 (2) | O(1)—K(901)—K(901) | 133.5 (1) |
O(1)—Nb(900)—K(901) | 44.8 (1) | K(901)—K(901)—O(1) | 46.5 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 46.5 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | O(1)—K(901)—K(901) | 80.27 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | K(901)—K(901)—O(1) | 80.27 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | O(1)—K(901)—K(901) | 99.73 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—O(1) | 80.27 (1) |
Nb(900)—K(901)—K(901) | 119 (1) | O(1)—K(901)—K(901) | 99.73 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—K(901) | 80.27 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—O(1) | 149.00 (8) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—O(1) | 149.00 (2) | K(901)—K(901)—K(901) | 119 (1) |
Nb(900)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—K(901) | 144 (2) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
Nb(900)—K(901)—K(901) | 60 (1) | K(901)—K(901)—K(901) | 59 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—K(901)—K(901) | 119 (1) |
K(901)—Nb(900)—K(901) | 179 (2) | K(901)—K(901)—K(901) | 59 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 90.0000 | O(1)—K(901)—K(901) | 80.27 (9) |
Nb(900)—K(901)—O(1) | 31.0 (1) | K(901)—K(901)—O(1) | 80.3 (1) |
O(1)—Nb(900)—K(901) | 44.8 (1) | O(1)—K(901)—K(901) | 99.73 (9) |
O(1)—Nb(900)—K(901) | 135.2 (1) | K(901)—K(901)—O(1) | 80.27 (9) |
Nb(900)—K(901)—O(1) | 31.0 (1) | O(1)—K(901)—K(901) | 80.3 (1) |
O(1)—Nb(900)—K(901) | 44.8 (1) | O(1)—K(901)—K(901) | 99.7 (1) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—O(1) | 46.51 (8) |
Nb(900)—K(901)—O(1) | 90.0000 | O(1)—K(901)—K(901) | 46.51 (8) |
O(1)—Nb(900)—K(901) | 135.2 (1) | O(1)—K(901)—K(901) | 133.49 (8) |
Nb(900)—K(901)—O(1) | 90.0000 | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—O(2) | 90 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—Nb(900) | 179 (2) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—K(901) | 119 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—O(1) | 149.0 (1) | K(901)—K(901)—O(1) | 133.5 (1) |
Nb(900)—K(901)—O(1) | 149.0 (1) | K(901)—K(901)—O(1) | 99.73 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—O(1) | 99.73 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—K(901)—K(901) | 119 (1) |
Nb(900)—K(901)—O(1) | 31.00 (2) | K(901)—K(901)—O(1) | 46.5 (1) |
O(1)—Nb(900)—K(901) | 44.8 (1) | O(1)—K(901)—K(901) | 46.5 (1) |
O(1)—Nb(900)—K(901) | 135.23 (7) | O(1)—K(901)—K(901) | 133.5 (1) |
Nb(900)—K(901)—O(1) | 31.00 (8) | O(1)—K(901)—K(901) | 99.73 (1) |
O(1)—Nb(900)—K(901) | 44.77 (7) | O(1)—K(901)—K(901) | 80.27 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—O(1) | 80.27 (1) |
O(1)—Nb(900)—K(901) | 135.2 (1) | O(1)—K(901)—K(901) | 80.27 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 99.73 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—O(1) | 80.27 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(2)—K(901)—K(901) | 144 (2) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—K(901) | 179 (2) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—K(901) | 60 (1) |
Nb(900)—K(901)—O(1) | 149.00 (8) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—Nb(900) | 60 (1) | K(901)—K(901)—O(1) | 133.49 (8) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—O(1) | 99.73 (9) |
Nb(900)—K(901)—K(901) | 60 (1) | K(901)—K(901)—O(1) | 99.7 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—O(1) | 80.3 (1) |
K(901)—Nb(900)—K(901) | 60 (1) | K(901)—K(901)—O(2) | 144 (2) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—O(2) | 35 (1) |
O(1)—Nb(900)—K(901) | 135.2 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—O(1) | 31.0 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 44.8 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 135.2 (1) | K(901)—K(901)—K(901) | 60 (1) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—K(901) | 179 (2) |
Nb(900)—K(901)—O(1) | 31.0 (1) | O(1)—K(901)—K(901) | 99.73 (9) |
O(1)—Nb(900)—K(901) | 44.8 (1) | O(1)—K(901)—K(901) | 80.27 (9) |
Nb(900)—K(901)—O(1) | 90.0000 | K(901)—K(901)—O(1) | 46.51 (8) |
Nb(900)—K(901)—O(1) | 90.0000 | O(1)—K(901)—K(901) | 46.51 (8) |
Nb(900)—K(901)—O(2) | 90 (1) | O(1)—K(901)—K(901) | 133.49 (8) |
Nb(900)—K(901)—O(2) | 89 (1) | O(1)—K(901)—K(901) | 80.3 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | O(1)—K(901)—K(901) | 99.7 (1) |
Nb(900)—K(901)—Nb(900) | 60 (1) | K(901)—K(901)—O(1) | 80.27 (9) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—K(901) | 144 (2) |
Nb(900)—K(901)—K(901) | 60 (1) | K(901)—K(901)—K(901) | 119 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | O(2)—K(901)—K(901) | 144 (2) |
O(1)—Nb(900)—K(901) | 135.2 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—K(901) | 60 (1) |
O(1)—Nb(900)—K(901) | 135.23 (7) | K(901)—K(901)—K(901) | 60 (1) |
Nb(900)—K(901)—O(1) | 31.00 (2) | O(1)—K(901)—K(901) | 80.27 (9) |
O(1)—Nb(900)—K(901) | 44.8 (1) | K(901)—K(901)—O(1) | 80.3 (1) |
Nb(900)—K(901)—O(1) | 31.00 (8) | O(1)—K(901)—K(901) | 99.73 (9) |
O(1)—Nb(900)—K(901) | 44.77 (7) | O(1)—K(901)—K(901) | 133.49 (8) |
Nb(900)—K(901)—O(1) | 90.0 (1) | K(901)—K(901)—O(1) | 46.51 (8) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 46.51 (8) |
Nb(900)—K(901)—O(2) | 90 (1) | O(1)—K(901)—K(901) | 99.7 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | O(1)—K(901)—K(901) | 80.3 (1) |
Nb(900)—K(901)—K(901) | 119 (1) | K(901)—K(901)—O(1) | 80.27 (9) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—Nb(900) | 179 (2) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—O(1) | 149.00 (2) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—O(1) | 149.00 (8) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—O(1)—Nb(900) | 140.4 (4) | K(901)—K(901)—O(1) | 99.73 (9) |
Nb(900)—O(1)—K(901) | 104.2 (1) | K(901)—K(901)—O(1) | 133.49 (8) |
K(901)—Nb(900)—O(1) | 44.8 (1) | K(901)—K(901)—O(1) | 80.3 (1) |
K(901)—Nb(900)—O(1) | 135.2 (1) | K(901)—K(901)—O(1) | 99.7 (1) |
K(901)—Nb(900)—O(1) | 90.0000 | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—O(1)—K(901) | 104.2 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—O(1) | 44.8 (1) | K(901)—K(901)—O(2) | 144 (2) |
K(901)—Nb(900)—O(1) | 90.0000 | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—O(1) | 135.2 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—O(1) | 90.5 (2) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—O(1) | 89.5 (2) | O(1)—K(901)—K(901) | 99.73 (9) |
O(1)—Nb(900)—O(1) | 89.5 (2) | K(901)—K(901)—O(1) | 80.27 (9) |
O(1)—Nb(900)—O(1) | 90.5 (2) | O(1)—K(901)—K(901) | 80.27 (9) |
Nb(900)—O(1)—Nb(900) | 140.4 (4) | O(1)—K(901)—K(901) | 99.7 (1) |
Nb(900)—O(1)—K(901) | 104.2 (1) | O(1)—K(901)—K(901) | 80.3 (1) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(1)—K(901)—K(901) | 133.49 (8) |
K(901)—Nb(900)—O(1) | 90.0000 | K(901)—K(901)—O(1) | 46.51 (8) |
K(901)—Nb(900)—O(1) | 90.0000 | O(1)—K(901)—K(901) | 46.51 (8) |
Nb(900)—O(1)—Nb(900) | 140.413 (1) | O(2)—K(901)—K(901) | 144 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 81.8 (1) |
Nb(900)—O(1)—K(901) | 104.22 (2) | K(901)—O(1)—Nb(900) | 104.2 (1) |
K(901)—Nb(900)—O(1) | 44.77 (7) | K(901)—O(1)—Nb(900) | 104.2 (1) |
Nb(900)—O(1)—K(901) | 104.2 (3) | K(901)—O(1)—K(901) | 87.0 (2) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(1)—K(901)—O(1) | 117.99 (9) |
K(901)—Nb(900)—O(1) | 135.23 (7) | O(1)—K(901)—O(1) | 62.01 (9) |
K(901)—Nb(900)—O(1) | 135.2 (1) | O(1)—K(901)—O(1) | 62.01 (9) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—O(1) | 117.99 (9) |
O(1)—Nb(900)—O(1) | 180.0 (2) | O(2)—K(901)—O(1) | 98.2 (1) |
O(1)—Nb(900)—O(1) | 89.5 (2) | O(2)—K(901)—O(1) | 98.2 (1) |
O(1)—Nb(900)—O(1) | 89.5 (2) | K(901)—O(1)—Nb(900) | 104.2 (1) |
O(1)—Nb(900)—O(1) | 90.5 (2) | K(901)—O(1)—Nb(900) | 104.2 (1) |
Nb(900)—O(1)—Nb(900) | 140.413 (1) | K(901)—O(1)—K(901) | 87.0 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—O(1) | 62.01 (9) |
Nb(900)—O(1)—K(901) | 104.2 (3) | O(1)—K(901)—O(1) | 117.99 (9) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(1)—K(901)—O(1) | 117.99 (9) |
K(901)—Nb(900)—O(1) | 135.2 (1) | O(1)—K(901)—O(1) | 62.01 (9) |
Nb(900)—O(1)—Nb(900) | 140.413 (1) | O(2)—K(901)—O(1) | 81.8 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | K(901)—O(1)—K(901) | 86.9704 (4) |
K(901)—Nb(900)—O(1) | 135.23 (7) | O(2)—K(901)—O(1) | 81.78 (8) |
K(901)—Nb(900)—O(1) | 135.2 (1) | K(901)—O(1)—Nb(900) | 104.22 (2) |
Nb(900)—O(1)—K(901) | 104.22 (2) | K(901)—O(1)—Nb(900) | 104.2 (3) |
K(901)—Nb(900)—O(1) | 44.77 (7) | O(1)—K(901)—O(1) | 62.0 (2) |
Nb(900)—O(1)—K(901) | 104.2 (3) | O(1)—K(901)—O(1) | 118.0 (2) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
O(1)—Nb(900)—O(1) | 90.5 (2) | K(901)—O(1)—Nb(900) | 104.22 (2) |
O(1)—Nb(900)—O(1) | 90.5 (2) | K(901)—O(1)—Nb(900) | 104.2 (3) |
O(1)—Nb(900)—O(1) | 89.5 (2) | K(901)—O(1)—K(901) | 86.9704 (4) |
Nb(900)—O(1)—Nb(900) | 140.413 (1) | O(1)—K(901)—O(1) | 118.0 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—O(1) | 62.0 (2) |
K(901)—Nb(900)—O(1) | 135.2 (1) | O(2)—K(901)—O(1) | 81.78 (8) |
Nb(900)—O(1)—K(901) | 104.2 (3) | O(2)—K(901)—O(1) | 98.22 (8) |
K(901)—Nb(900)—O(1) | 44.8 (1) | K(901)—O(1)—Nb(900) | 104.22 (2) |
Nb(900)—O(1)—Nb(900) | 140.413 (1) | K(901)—O(1)—Nb(900) | 104.2 (3) |
Nb(900)—O(1)—K(901) | 104.22 (2) | K(901)—O(1)—K(901) | 86.9704 (4) |
K(901)—Nb(900)—O(1) | 44.77 (7) | O(1)—K(901)—O(1) | 180.0 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 81.78 (8) |
Nb(900)—O(1)—K(901) | 104.2 (3) | K(901)—O(1)—K(901) | 86.9704 (4) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(2)—K(901)—O(1) | 81.78 (8) |
K(901)—Nb(900)—O(1) | 90.0 (1) | K(901)—O(1)—Nb(900) | 104.22 (2) |
K(901)—Nb(900)—O(1) | 135.2 (1) | K(901)—O(1)—Nb(900) | 104.2 (3) |
K(901)—Nb(900)—O(1) | 135.23 (7) | O(2)—K(901)—O(1) | 98.22 (8) |
O(1)—Nb(900)—O(1) | 90.5 (2) | O(2)—K(901)—O(2) | 179 (3) |
O(1)—Nb(900)—O(1) | 180.0 (2) | K(901)—O(2)—K(901) | 109 (2) |
Nb(900)—O(1)—K(901) | 104.22 (2) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 44.77 (7) | K(901)—O(2)—K(901) | 109 (2) |
Nb(900)—O(1)—K(901) | 104.2 (3) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 44.8 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 135.2 (1) | K(901)—O(2)—K(901) | 109 (2) |
Nb(900)—O(1)—Nb(900) | 140.4 (4) | Nb(900)—O(1)—Nb(900) | 140.4 (4) |
K(901)—Nb(900)—O(1) | 135.2 (1) | O(1)—Nb(900)—K(901) | 44.8 (1) |
Nb(900)—O(1)—K(901) | 104.2 (1) | K(901)—O(1)—Nb(900) | 104.2 (1) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(1)—Nb(900)—K(901) | 44.8 (1) |
K(901)—Nb(900)—O(1) | 90.0000 | K(901)—O(1)—Nb(900) | 104.2 (1) |
K(901)—Nb(900)—O(1) | 135.2 (1) | O(1)—Nb(900)—O(1) | 90.5 (2) |
K(901)—Nb(900)—O(1) | 90.0000 | O(1)—Nb(900)—O(1) | 90.5 (2) |
Nb(900)—O(1)—K(901) | 104.2 (1) | O(1)—Nb(900)—O(1) | 89.5 (2) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(1)—Nb(900)—O(1) | 89.5 (2) |
O(1)—Nb(900)—O(1) | 89.5 (2) | O(1)—Nb(900)—K(901) | 44.8 (1) |
K(901)—Nb(900)—O(1) | 135.2 (1) | K(901)—O(1)—Nb(900) | 104.2 (1) |
K(901)—Nb(900)—O(1) | 90.0000 | O(1)—Nb(900)—K(901) | 90.0000 |
K(901)—Nb(900)—O(1) | 90.0000 | O(1)—Nb(900)—K(901) | 90.0000 |
Nb(900)—O(1)—Nb(900) | 140.413 (1) | O(1)—Nb(900)—O(1) | 180.0 (3) |
K(901)—Nb(900)—O(1) | 135.23 (7) | O(1)—Nb(900)—K(901) | 90.0000 |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—Nb(900) | 31.00 (2) |
K(901)—Nb(900)—O(1) | 135.2 (1) | Nb(900)—O(1)—K(901) | 104.2 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—Nb(900) | 31.00 (2) |
Nb(900)—O(1)—K(901) | 104.2 (3) | Nb(900)—O(1)—K(901) | 104.2 (1) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—O(1)—K(901) | 104.22 (2) | O(1)—K(901)—K(901) | 80.27 (9) |
K(901)—Nb(900)—O(1) | 44.77 (7) | O(1)—K(901)—K(901) | 46.5 (1) |
K(901)—Nb(900)—O(1) | 135.23 (7) | K(901)—O(1)—K(901) | 87.0 (2) |
K(901)—Nb(900)—O(1) | 135.2 (1) | O(1)—K(901)—Nb(900) | 31.00 (2) |
Nb(900)—O(1)—K(901) | 104.2 (3) | O(1)—K(901)—O(1) | 62.01 (9) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(1)—K(901)—O(1) | 62.01 (9) |
K(901)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—O(1) | 117.99 (9) |
K(901)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—O(2) | 98.2 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—O(2) | 81.8 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—Nb(900) | 31.00 (2) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—K(901) | 80.27 (9) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—K(901) | 80.27 (9) |
K(901)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—O(1) | 117.99 (9) |
K(901)—Nb(900)—K(901) | 59 (1) | O(1)—K(901)—Nb(900) | 149.00 (2) |
K(901)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—Nb(900) | 149.00 (2) |
K(901)—Nb(900)—K(901) | 59 (1) | O(1)—K(901)—K(901) | 80.27 (9) |
K(901)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—K(901) | 133.5 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—O(1) | 180.0 (1) |
K(901)—Nb(900)—O(1) | 44.8 (1) | Nb(900)—O(1)—K(901) | 104.2 (1) |
O(1)—K(901)—Nb(900) | 31.00 (2) | O(1)—K(901)—Nb(900) | 31.00 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | Nb(900)—O(1)—K(901) | 104.2 (1) |
O(1)—K(901)—Nb(900) | 149.00 (2) | O(1)—K(901)—Nb(900) | 90.0000 |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(1)—K(901)—K(901) | 46.5 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | K(901)—O(1)—K(901) | 87.0 (2) |
K(901)—Nb(900)—O(1) | 44.77 (7) | O(1)—K(901)—K(901) | 80.27 (9) |
O(1)—K(901)—Nb(900) | 31.00 (8) | O(1)—K(901)—Nb(900) | 31.00 (2) |
O(1)—K(901)—Nb(900) | 149.00 (8) | O(1)—K(901)—O(1) | 62.01 (9) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—O(1) | 117.99 (9) |
O(2)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—O(1) | 62.01 (9) |
K(901)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—O(2) | 81.8 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—O(2) | 98.2 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—Nb(900) | 31.00 (2) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 60 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 179 (2) | O(1)—K(901)—K(901) | 46.5 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—K(901) | 80.27 (9) |
K(901)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—K(901) | 80.27 (9) |
K(901)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—O(1) | 117.99 (9) |
K(901)—Nb(900)—K(901) | 60 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—K(901)—Nb(900) | 60 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(2)—K(901)—K(901) | 144 (2) |
O(1)—K(901)—Nb(900) | 31.00 (2) | O(2)—K(901)—O(1) | 98.2 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 81.78 (8) |
O(1)—K(901)—Nb(900) | 149.00 (2) | O(2)—K(901)—O(1) | 81.78 (8) |
O(1)—K(901)—Nb(900) | 149.00 (8) | O(2)—K(901)—O(1) | 98.22 (8) |
K(901)—Nb(900)—O(1) | 44.77 (7) | O(2)—K(901)—O(2) | 179 (3) |
O(1)—K(901)—Nb(900) | 31.00 (8) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | K(901)—O(2)—K(901) | 109 (2) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
O(2)—K(901)—Nb(900) | 90 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—K(901)—Nb(900) | 59 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 81.8 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—K(901) | 144 (2) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—O(1) | 81.78 (8) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—O(1) | 81.8 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—O(1) | 98.2 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—O(2) | 179 (3) |
O(1)—K(901)—Nb(900) | 149.00 (2) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—O(1) | 44.8 (1) | K(901)—O(2)—K(901) | 109 (2) |
O(1)—K(901)—Nb(900) | 31.00 (2) | O(2)—K(901)—Nb(900) | 90 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(1)—K(901)—Nb(900) | 149.00 (8) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 44.77 (7) | O(2)—K(901)—O(1) | 98.22 (8) |
O(1)—K(901)—Nb(900) | 31.00 (8) | O(2)—K(901)—O(1) | 81.78 (8) |
O(2)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—K(901) | 60 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—O(1) | 81.8 (1) |
Nb(900)—K(901)—Nb(900) | 179 (2) | O(2)—K(901)—O(1) | 81.78 (8) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(1)—K(901)—Nb(900) | 90.0000 | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 90.0000 | O(2)—K(901)—O(1) | 81.78 (8) |
O(1)—K(901)—Nb(900) | 90.0000 | O(2)—K(901)—O(1) | 98.2 (1) |
O(1)—K(901)—Nb(900) | 149.0 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(2)—K(901)—O(2) | 179 (3) |
O(1)—K(901)—Nb(900) | 31.0 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(1)—K(901)—Nb(900) | 149.0 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—O(1) | 44.8 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(1)—K(901)—Nb(900) | 31.0 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—O(1) | 90.0000 | O(2)—K(901)—Nb(900) | 89 (1) |
O(2)—K(901)—Nb(900) | 90 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 81.78 (8) |
O(2)—K(901)—Nb(900) | 90 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
Nb(900)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—O(1) | 81.78 (8) |
K(901)—Nb(900)—K(901) | 60 (1) | O(2)—K(901)—O(1) | 81.8 (1) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—O(1) | 98.2 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—O(1) | 98.22 (8) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—O(2) | 179 (3) |
Crystal data top
K0.72NbO3.5 | Dx = 0.991 Mg m−3 Dm = 3.000 Mg m−3 Dm measured by ? |
Mr = 204 | Mo Kα radiation, λ = 0.7107 Å |
Cubic, Fd3m:1 | Cell parameters from 16 reflections |
Hall symbol: -F 4vw 2vw 3 | θ = 6.4–13.4° |
a = 10.645 (4) Å | µ = 1.29 mm−1 |
V = 1206.2 (7) Å3 | T = 298 K |
Z = 4 | Prismatic, colorless |
F(000) = 336.00 | 0.20 × 0.20 × 0.20 mm |
Data collection top
Rigaku AFC7R diffractometer | θmax = 44.6° |
ω–2θ scans | h = −7→21 |
352 measured reflections | k = 0→14 |
325 independent reflections | l = −4→12 |
143 reflections with F2 > 2.0σ(F2) | 3 standard reflections every 0 reflections |
Rint = 0.050 | intensity decay: 0.00% |
Refinement top
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/σ2(Fo) |
R[F2 > 2σ(F2)] = 0.042 | (Δ/σ)max = 0.373 |
wR(F2) = 0.058 | Δρmax = 25.20 e Å−3 |
S = 1.76 | Δρmin = −12.40 e Å−3 |
325 reflections | Extinction correction: Larson (1970) Crystallographic Computing eq. 22 |
12 parameters | Extinction coefficient: 89 (8) |
Special details top
Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY |
Refinement. Refinement using all reflections. The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are
based on F, with F set to zero for negative F. The threshold expression of
F2 > 2.0 sigma(F2) is used only for calculating R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Nb(900) | 0.2500 | 0.2500 | 0.0000 | 0.0204 (3) | |
K(901) | 0.5000 | −0.2500 | −0.2500 | 0.032 (1) | 0.72 |
O(1) | 0.1250 | 0.3113 (6) | 0.1250 | 0.008 (1) | |
O(2) | 0.3750 | 0.3750 | 0.3750 | 0.37 (2) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Nb(900) | 0.0204 (7) | 0.0204 (7) | 0.0204 (7) | −0.0020 (7) | 0.0020 (7) | 0.0020 (7) |
K(901) | 0.032 (3) | 0.032 (3) | 0.032 (3) | −0.020 (3) | −0.020 (3) | 0.020 (3) |
O(1) | 0.010 (2) | 0.004 (3) | 0.010 (2) | 0.0000 | 0.001 (3) | 0.0000 |
O(2) | 0.37 (5) | 0.37 (5) | 0.37 (5) | 0.0000 | 0.0000 | 0.0000 |
Geometric parameters (Å, º) top
Nb(900)—K(901) | 3.76 (5) | K(901)—K(901) | 3.76 (5) |
Nb(900)—K(901) | 3.76 (5) | K(901)—K(901) | 3.76 (5) |
Nb(900)—K(901) | 3.76 (5) | K(901)—K(901) | 3.76 (5) |
Nb(900)—K(901) | 3.76 (5) | K(901)—K(901) | 3.76 (5) |
Nb(900)—K(901) | 3.76 (5) | K(901)—O(1) | 2.753 (5) |
Nb(900)—K(901) | 3.76 (5) | K(901)—O(1) | 2.753 (5) |
Nb(900)—O(1) | 1.992 (2) | K(901)—O(1) | 2.753 (3) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.753 (3) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.753 (3) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.753 (3) |
Nb(900)—O(1) | 1.992 (2) | K(901)—O(2) | 2.30 (5) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(2) | 2.30 (5) |
K(901)—Nb(900) | 3.76 (5) | O(1)—Nb(900) | 1.992 (2) |
K(901)—Nb(900) | 3.76 (5) | O(1)—K(901) | 2.753 (5) |
K(901)—Nb(900) | 3.76 (5) | O(1)—K(901) | 2.753 (5) |
K(901)—Nb(900) | 3.76 (5) | O(2)—K(901) | 2.30 (5) |
K(901)—Nb(900) | 3.76 (5) | O(2)—K(901) | 2.30 (5) |
K(901)—Nb(900) | 3.76 (5) | O(2)—K(901) | 2.30 (5) |
K(901)—K(901) | 3.76 (5) | O(2)—K(901) | 2.30 (5) |
K(901)—K(901) | 3.76 (5) | | |
| | | |
O(1)···O(1) | 2.804 (7) | O(1)···O(2) | 3.340 (7) |
O(1)···O(1) | 2.804 (7) | O(2)···O(1) | 3.3399 (1) |
O(1)···O(1) | 2.804 (7) | O(2)···O(1) | 3.3399 (1) |
O(1)···O(1) | 2.829 (2) | O(2)···O(1) | 3.340 (7) |
O(1)···O(1) | 2.829 (2) | O(2)···O(1) | 3.3399 (1) |
O(1)···O(1) | 2.804 (7) | O(2)···O(1) | 3.340 (7) |
O(1)···O(1) | 2.829 (2) | O(2)···O(1) | 3.3399 (1) |
O(1)···O(1) | 2.829 (2) | | |
| | | |
Nb(900)—K(901)—Nb(900) | 60 (1) | K(901)—Nb(900)—O(1) | 45.3 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—Nb(900) | 30.9 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | O(1)—K(901)—Nb(900) | 149.1 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—Nb(900)—O(1) | 90.0000 |
K(901)—Nb(900)—K(901) | 60 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—K(901) | 60 (1) | K(901)—K(901)—K(901) | 119 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—K(901)—K(901) | 119 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | O(2)—K(901)—K(901) | 144 (1) |
Nb(900)—K(901)—O(1) | 30.92 (2) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 45.3 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—O(1) | 30.92 (8) | K(901)—K(901)—K(901) | 179 (2) |
O(1)—Nb(900)—K(901) | 45.26 (6) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 134.7 (1) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 134.74 (6) | O(1)—K(901)—K(901) | 133.12 (9) |
Nb(900)—K(901)—O(1) | 90.0 (1) | K(901)—K(901)—O(1) | 46.88 (9) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 46.88 (9) |
Nb(900)—K(901)—O(2) | 89 (1) | O(1)—K(901)—K(901) | 79.96 (1) |
Nb(900)—K(901)—O(2) | 90 (1) | K(901)—K(901)—O(1) | 79.96 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—K(901) | 100.04 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—O(1) | 79.96 (1) |
Nb(900)—K(901)—O(1) | 149.08 (8) | O(1)—K(901)—K(901) | 100.04 (1) |
Nb(900)—K(901)—Nb(900) | 179 (2) | O(1)—K(901)—K(901) | 79.96 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—K(901) | 119 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—O(1) | 149.08 (2) | K(901)—K(901)—K(901) | 119 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—K(901) | 179 (2) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—K(901) | 144 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 179 (2) | K(901)—K(901)—K(901) | 59 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—K(901)—K(901) | 119 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—K(901) | 59 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 134.7 (1) | O(1)—K(901)—K(901) | 79.96 (8) |
Nb(900)—K(901)—O(1) | 30.92 (8) | K(901)—K(901)—O(1) | 80.0 (1) |
O(1)—Nb(900)—K(901) | 45.26 (6) | O(1)—K(901)—K(901) | 100.04 (8) |
O(1)—Nb(900)—K(901) | 134.74 (6) | K(901)—K(901)—O(1) | 79.96 (8) |
O(1)—Nb(900)—K(901) | 90.0 (1) | O(1)—K(901)—K(901) | 80.0 (1) |
Nb(900)—K(901)—O(1) | 30.92 (2) | O(1)—K(901)—K(901) | 100.0 (1) |
O(1)—Nb(900)—K(901) | 45.3 (1) | K(901)—K(901)—O(1) | 46.88 (7) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 46.88 (7) |
O(1)—Nb(900)—K(901) | 90.0 (1) | O(1)—K(901)—K(901) | 133.12 (7) |
Nb(900)—K(901)—O(1) | 90.0 (1) | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—K(901) | 119 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—Nb(900) | 179 (2) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—O(1) | 149.08 (8) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—O(1) | 149.08 (2) | K(901)—K(901)—O(1) | 133.12 (9) |
Nb(900)—K(901)—Nb(900) | 60 (1) | K(901)—K(901)—O(1) | 100.04 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—O(1) | 100.04 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—K(901) | 60 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 179 (2) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—K(901)—K(901) | 119 (1) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—O(1) | 46.88 (9) |
Nb(900)—K(901)—O(1) | 30.9 (1) | O(1)—K(901)—K(901) | 46.88 (9) |
O(1)—Nb(900)—K(901) | 45.3 (1) | O(1)—K(901)—K(901) | 133.12 (9) |
O(1)—Nb(900)—K(901) | 134.7 (1) | O(1)—K(901)—K(901) | 100.04 (1) |
Nb(900)—K(901)—O(1) | 30.9 (1) | O(1)—K(901)—K(901) | 79.96 (1) |
O(1)—Nb(900)—K(901) | 45.3 (1) | K(901)—K(901)—O(1) | 79.96 (1) |
O(1)—Nb(900)—K(901) | 90.0000 | O(1)—K(901)—K(901) | 79.96 (1) |
Nb(900)—K(901)—O(1) | 90.0000 | O(1)—K(901)—K(901) | 100.04 (1) |
O(1)—Nb(900)—K(901) | 134.7 (1) | K(901)—K(901)—O(1) | 79.96 (1) |
Nb(900)—K(901)—O(1) | 90.0000 | O(2)—K(901)—K(901) | 144 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—O(2) | 90 (1) | K(901)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—K(901) | 179 (2) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—K(901) | 60 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—K(901) | 119 (1) | K(901)—K(901)—O(1) | 133.12 (7) |
Nb(900)—K(901)—O(1) | 149.1 (1) | K(901)—K(901)—O(1) | 100.04 (8) |
Nb(900)—K(901)—O(1) | 149.1 (1) | K(901)—K(901)—O(1) | 100.0 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—O(1) | 80.0 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—O(2) | 144 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—O(2) | 35 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
K(901)—Nb(900)—K(901) | 119 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
Nb(900)—K(901)—O(1) | 30.92 (2) | K(901)—K(901)—K(901) | 60 (1) |
O(1)—Nb(900)—K(901) | 45.3 (1) | K(901)—K(901)—K(901) | 179 (2) |
O(1)—Nb(900)—K(901) | 134.74 (6) | O(1)—K(901)—K(901) | 100.04 (8) |
Nb(900)—K(901)—O(1) | 30.92 (8) | O(1)—K(901)—K(901) | 79.96 (8) |
O(1)—Nb(900)—K(901) | 45.26 (6) | K(901)—K(901)—O(1) | 46.88 (7) |
O(1)—Nb(900)—K(901) | 90.0 (1) | O(1)—K(901)—K(901) | 46.88 (7) |
O(1)—Nb(900)—K(901) | 134.7 (1) | O(1)—K(901)—K(901) | 133.12 (7) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 80.0 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | O(1)—K(901)—K(901) | 100.0 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | K(901)—K(901)—O(1) | 79.96 (8) |
Nb(900)—K(901)—O(2) | 89 (1) | O(2)—K(901)—K(901) | 144 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—K(901) | 119 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—K(901) | 144 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
Nb(900)—K(901)—O(1) | 149.08 (8) | K(901)—K(901)—Nb(900) | 59 (1) |
Nb(900)—K(901)—Nb(900) | 60 (1) | K(901)—K(901)—K(901) | 60 (1) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—K(901) | 60 (1) |
Nb(900)—K(901)—K(901) | 60 (1) | O(1)—K(901)—K(901) | 79.96 (8) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—O(1) | 80.0 (1) |
K(901)—Nb(900)—K(901) | 60 (1) | O(1)—K(901)—K(901) | 100.04 (8) |
O(1)—Nb(900)—K(901) | 90.0000 | O(1)—K(901)—K(901) | 133.12 (7) |
O(1)—Nb(900)—K(901) | 134.7 (1) | K(901)—K(901)—O(1) | 46.88 (7) |
Nb(900)—K(901)—O(1) | 30.9 (1) | O(1)—K(901)—K(901) | 46.88 (7) |
O(1)—Nb(900)—K(901) | 45.3 (1) | O(1)—K(901)—K(901) | 100.0 (1) |
O(1)—Nb(900)—K(901) | 134.7 (1) | O(1)—K(901)—K(901) | 80.0 (1) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—O(1) | 79.96 (8) |
Nb(900)—K(901)—O(1) | 30.9 (1) | K(901)—K(901)—O(2) | 35 (1) |
O(1)—Nb(900)—K(901) | 45.3 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—O(1) | 90.0000 | K(901)—K(901)—Nb(900) | 89 (1) |
Nb(900)—K(901)—O(1) | 90.0000 | K(901)—K(901)—Nb(900) | 119 (1) |
Nb(900)—K(901)—O(2) | 90 (1) | K(901)—K(901)—K(901) | 59 (1) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—K(901) | 179 (2) |
Nb(900)—K(901)—K(901) | 89 (1) | K(901)—K(901)—O(1) | 100.04 (8) |
Nb(900)—K(901)—Nb(900) | 60 (1) | K(901)—K(901)—O(1) | 133.12 (7) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—K(901)—O(1) | 80.0 (1) |
Nb(900)—K(901)—K(901) | 60 (1) | K(901)—K(901)—O(1) | 100.0 (1) |
Nb(900)—K(901)—K(901) | 59 (1) | K(901)—K(901)—O(2) | 35 (1) |
O(1)—Nb(900)—K(901) | 134.7 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—O(2) | 144 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—Nb(900) | 59 (1) |
O(1)—Nb(900)—K(901) | 134.74 (6) | K(901)—K(901)—Nb(900) | 59 (1) |
Nb(900)—K(901)—O(1) | 30.92 (2) | K(901)—K(901)—K(901) | 59 (1) |
O(1)—Nb(900)—K(901) | 45.3 (1) | O(1)—K(901)—K(901) | 100.04 (8) |
Nb(900)—K(901)—O(1) | 30.92 (8) | K(901)—K(901)—O(1) | 79.96 (8) |
O(1)—Nb(900)—K(901) | 45.26 (6) | O(1)—K(901)—K(901) | 79.96 (8) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 100.0 (1) |
Nb(900)—K(901)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 80.0 (1) |
Nb(900)—K(901)—O(2) | 90 (1) | O(1)—K(901)—K(901) | 133.12 (7) |
Nb(900)—K(901)—O(2) | 89 (1) | K(901)—K(901)—O(1) | 46.88 (7) |
Nb(900)—K(901)—K(901) | 119 (1) | O(1)—K(901)—K(901) | 46.88 (7) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—K(901) | 144 (1) |
Nb(900)—K(901)—K(901) | 89 (1) | O(2)—K(901)—O(1) | 82.14 (9) |
Nb(900)—K(901)—O(1) | 149.08 (2) | K(901)—O(1)—Nb(900) | 103.8 (1) |
Nb(900)—K(901)—O(1) | 149.08 (8) | K(901)—O(1)—Nb(900) | 103.8 (1) |
Nb(900)—O(1)—Nb(900) | 141.8 (4) | K(901)—O(1)—K(901) | 86.2 (2) |
Nb(900)—O(1)—K(901) | 103.8 (1) | O(1)—K(901)—O(1) | 180.0 (1) |
Nb(900)—O(1)—K(901) | 103.8 (1) | O(1)—K(901)—O(1) | 118.16 (8) |
O(1)—Nb(900)—O(1) | 89.5 (1) | O(1)—K(901)—O(1) | 61.84 (8) |
O(1)—Nb(900)—O(1) | 90.5 (1) | O(1)—K(901)—O(1) | 61.84 (8) |
O(1)—Nb(900)—O(1) | 90.5 (1) | O(1)—K(901)—O(1) | 118.16 (8) |
O(1)—Nb(900)—O(1) | 180.0 (3) | O(2)—K(901)—O(1) | 97.86 (9) |
O(1)—Nb(900)—O(1) | 89.5 (1) | O(2)—K(901)—O(1) | 97.86 (9) |
Nb(900)—O(1)—Nb(900) | 141.779 (1) | K(901)—O(1)—Nb(900) | 103.8 (1) |
Nb(900)—O(1)—K(901) | 103.82 (1) | K(901)—O(1)—Nb(900) | 103.8 (1) |
Nb(900)—O(1)—K(901) | 103.8 (2) | K(901)—O(1)—K(901) | 86.2 (2) |
O(1)—Nb(900)—O(1) | 90.5 (2) | O(1)—K(901)—O(1) | 61.84 (8) |
O(1)—Nb(900)—O(1) | 90.5 (1) | O(1)—K(901)—O(1) | 118.16 (8) |
O(1)—Nb(900)—O(1) | 89.5 (2) | O(1)—K(901)—O(1) | 118.16 (8) |
Nb(900)—O(1)—Nb(900) | 141.779 (1) | O(1)—K(901)—O(1) | 61.84 (8) |
Nb(900)—O(1)—K(901) | 103.82 (2) | O(2)—K(901)—O(1) | 82.14 (9) |
Nb(900)—O(1)—K(901) | 103.8 (2) | K(901)—O(1)—K(901) | 86.2477 (3) |
O(1)—Nb(900)—O(1) | 89.5 (2) | O(2)—K(901)—O(1) | 82.14 (7) |
O(1)—Nb(900)—O(1) | 89.5 (1) | K(901)—O(1)—Nb(900) | 103.82 (1) |
O(1)—Nb(900)—O(1) | 90.5 (2) | K(901)—O(1)—Nb(900) | 103.8 (2) |
Nb(900)—O(1)—Nb(900) | 141.779 (1) | O(1)—K(901)—O(1) | 180.0 (2) |
Nb(900)—O(1)—K(901) | 103.82 (2) | O(1)—K(901)—O(1) | 61.8 (2) |
Nb(900)—O(1)—K(901) | 103.8 (2) | O(1)—K(901)—O(1) | 118.2 (2) |
O(1)—Nb(900)—O(1) | 89.5 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
O(1)—Nb(900)—O(1) | 180.0 (2) | O(2)—K(901)—O(1) | 97.86 (7) |
Nb(900)—O(1)—Nb(900) | 141.8 (4) | K(901)—O(1)—Nb(900) | 103.82 (2) |
Nb(900)—O(1)—K(901) | 103.8 (1) | K(901)—O(1)—Nb(900) | 103.8 (2) |
Nb(900)—O(1)—K(901) | 103.8 (1) | K(901)—O(1)—K(901) | 86.2477 (3) |
O(1)—Nb(900)—O(1) | 90.5 (1) | O(1)—K(901)—O(1) | 118.2 (2) |
Nb(900)—O(1)—Nb(900) | 141.779 (1) | O(1)—K(901)—O(1) | 61.8 (2) |
Nb(900)—O(1)—K(901) | 103.8 (2) | O(2)—K(901)—O(1) | 82.14 (7) |
Nb(900)—O(1)—K(901) | 103.82 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
K(901)—K(901)—Nb(900) | 89 (1) | K(901)—O(1)—Nb(900) | 103.82 (2) |
K(901)—K(901)—Nb(900) | 119 (1) | K(901)—O(1)—Nb(900) | 103.8 (2) |
O(2)—K(901)—Nb(900) | 89 (1) | K(901)—O(1)—K(901) | 86.2477 (3) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—O(1) | 180.0 (2) |
Nb(900)—K(901)—Nb(900) | 179 (2) | O(2)—K(901)—O(1) | 82.14 (7) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—O(1)—K(901) | 86.2477 (3) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—O(1) | 82.14 (7) |
Nb(900)—K(901)—Nb(900) | 59 (1) | K(901)—O(1)—Nb(900) | 103.82 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | K(901)—O(1)—Nb(900) | 103.8 (2) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—O(2) | 179 (3) |
K(901)—Nb(900)—K(901) | 59 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—K(901)—Nb(900) | 59 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—K(901)—Nb(900) | 89 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 45.3 (1) | K(901)—O(2)—K(901) | 109 (2) |
O(1)—K(901)—Nb(900) | 30.92 (2) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | K(901)—O(2)—K(901) | 109 (2) |
O(1)—K(901)—Nb(900) | 149.08 (2) | O(1)—Nb(900)—K(901) | 45.3 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | K(901)—O(1)—Nb(900) | 103.8 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(1)—Nb(900)—K(901) | 45.3 (1) |
K(901)—Nb(900)—O(1) | 45.26 (6) | K(901)—O(1)—Nb(900) | 103.8 (1) |
O(1)—K(901)—Nb(900) | 30.92 (8) | O(1)—Nb(900)—O(1) | 89.5 (1) |
O(1)—K(901)—Nb(900) | 149.08 (8) | O(1)—Nb(900)—O(1) | 89.5 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—Nb(900)—O(1) | 90.5 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | O(1)—Nb(900)—O(1) | 90.5 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | O(1)—Nb(900)—K(901) | 90.0000 |
K(901)—K(901)—Nb(900) | 89 (1) | O(1)—Nb(900)—K(901) | 90.0000 |
O(2)—K(901)—Nb(900) | 89 (1) | O(1)—Nb(900)—O(1) | 180.0 (3) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—Nb(900) | 30.92 (2) |
Nb(900)—K(901)—Nb(900) | 60 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—K(901) | 79.96 (8) |
K(901)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—K(901) | 46.88 (9) |
K(901)—K(901)—Nb(900) | 89 (1) | K(901)—O(1)—K(901) | 86.2 (2) |
K(901)—Nb(900)—K(901) | 60 (1) | O(1)—K(901)—O(1) | 61.84 (8) |
K(901)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—O(1) | 61.84 (8) |
K(901)—Nb(900)—K(901) | 59 (1) | O(1)—K(901)—O(1) | 118.16 (8) |
K(901)—K(901)—Nb(900) | 60 (1) | O(1)—K(901)—O(2) | 97.86 (9) |
K(901)—Nb(900)—O(1) | 45.3 (1) | O(1)—K(901)—O(2) | 82.14 (9) |
O(1)—K(901)—Nb(900) | 30.92 (2) | O(1)—K(901)—Nb(900) | 90.0000 |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 79.96 (8) |
O(1)—K(901)—Nb(900) | 149.08 (2) | O(1)—K(901)—O(1) | 118.16 (8) |
O(1)—K(901)—Nb(900) | 149.08 (8) | O(1)—K(901)—O(2) | 82.14 (9) |
K(901)—Nb(900)—O(1) | 45.26 (6) | O(1)—K(901)—Nb(900) | 149.08 (2) |
O(1)—K(901)—Nb(900) | 30.92 (8) | O(1)—K(901)—Nb(900) | 149.08 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 133.12 (9) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(1)—K(901)—O(1) | 180.0 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(1)—K(901)—Nb(900) | 30.92 (2) |
O(2)—K(901)—Nb(900) | 90 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
K(901)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—K(901) | 46.88 (9) |
K(901)—Nb(900)—K(901) | 59 (1) | O(1)—K(901)—K(901) | 79.96 (8) |
K(901)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—O(1) | 61.84 (8) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—O(1) | 118.16 (8) |
O(2)—K(901)—Nb(900) | 89 (1) | O(1)—K(901)—O(1) | 61.84 (8) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—O(2) | 82.14 (9) |
Nb(900)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—O(2) | 97.86 (9) |
Nb(900)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
K(901)—Nb(900)—K(901) | 59 (1) | O(1)—K(901)—K(901) | 79.96 (8) |
K(901)—K(901)—Nb(900) | 59 (1) | O(1)—K(901)—O(1) | 118.16 (8) |
K(901)—K(901)—Nb(900) | 119 (1) | O(1)—K(901)—O(2) | 82.14 (9) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
O(1)—K(901)—Nb(900) | 149.08 (2) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—O(1) | 45.3 (1) | K(901)—O(2)—K(901) | 109 (2) |
O(1)—K(901)—Nb(900) | 30.92 (2) | O(2)—K(901)—K(901) | 144 (1) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(2)—K(901)—O(1) | 82.14 (7) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(2)—K(901)—O(1) | 82.14 (7) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
O(1)—K(901)—Nb(900) | 149.08 (8) | O(2)—K(901)—O(2) | 179 (3) |
K(901)—Nb(900)—O(1) | 45.26 (6) | O(2)—K(901)—Nb(900) | 89 (1) |
O(1)—K(901)—Nb(900) | 30.92 (8) | O(2)—K(901)—K(901) | 35 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
K(901)—Nb(900)—K(901) | 60 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—Nb(900) | 119 (1) | K(901)—O(2)—K(901) | 109 (2) |
Nb(900)—K(901)—Nb(900) | 179 (2) | O(2)—K(901)—O(1) | 82.14 (9) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—K(901) | 144 (1) |
K(901)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
O(1)—K(901)—Nb(900) | 90.0000 | O(2)—K(901)—O(1) | 82.14 (7) |
K(901)—Nb(900)—O(1) | 90.0000 | O(2)—K(901)—O(1) | 82.14 (9) |
O(1)—K(901)—Nb(900) | 90.0000 | O(2)—K(901)—O(1) | 97.86 (9) |
O(1)—K(901)—Nb(900) | 149.1 (1) | O(2)—K(901)—O(2) | 179 (3) |
K(901)—Nb(900)—O(1) | 45.3 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(1)—K(901)—Nb(900) | 30.9 (1) | K(901)—O(2)—K(901) | 109 (2) |
O(1)—K(901)—Nb(900) | 149.1 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—Nb(900)—O(1) | 45.3 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
O(1)—K(901)—Nb(900) | 30.9 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—Nb(900)—O(1) | 90.0000 | O(2)—K(901)—K(901) | 35 (1) |
O(2)—K(901)—Nb(900) | 90 (1) | K(901)—O(2)—K(901) | 109 (2) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
K(901)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—O(1) | 82.14 (7) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
O(2)—K(901)—Nb(900) | 90 (1) | O(2)—K(901)—K(901) | 35 (1) |
Nb(900)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—K(901) | 60 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—O(1) | 82.14 (9) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—O(1) | 82.14 (7) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—Nb(900) | 90 (1) |
O(1)—K(901)—Nb(900) | 149.08 (2) | O(2)—K(901)—Nb(900) | 90 (1) |
K(901)—Nb(900)—O(1) | 45.3 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
O(1)—K(901)—Nb(900) | 30.92 (2) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—O(1) | 45.26 (6) | K(901)—O(2)—K(901) | 109 (2) |
O(1)—K(901)—Nb(900) | 30.92 (8) | O(2)—K(901)—O(1) | 82.14 (7) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 97.86 (9) |
O(1)—K(901)—Nb(900) | 149.08 (8) | O(2)—K(901)—O(1) | 97.86 (7) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(2)—K(901)—O(2) | 179 (3) |
O(1)—K(901)—Nb(900) | 90.0 (1) | O(2)—K(901)—K(901) | 35 (1) |
O(2)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—Nb(900)—K(901) | 59 (1) | O(2)—K(901)—K(901) | 35 (1) |
K(901)—K(901)—Nb(900) | 60 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
O(2)—K(901)—Nb(900) | 90 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—Nb(900)—K(901) | 60 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 59 (1) | O(2)—K(901)—Nb(900) | 89 (1) |
K(901)—K(901)—Nb(900) | 89 (1) | O(2)—K(901)—O(1) | 82.14 (7) |
K(901)—K(901)—Nb(900) | 119 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
O(1)—K(901)—Nb(900) | 90.0000 | O(2)—K(901)—O(1) | 82.14 (7) |
O(1)—K(901)—Nb(900) | 90.0000 | O(2)—K(901)—O(1) | 82.14 (9) |
K(901)—Nb(900)—O(1) | 90.0000 | O(2)—K(901)—O(1) | 97.86 (9) |
K(901)—Nb(900)—O(1) | 45.3 (1) | O(2)—K(901)—O(1) | 97.86 (7) |
O(1)—K(901)—Nb(900) | 30.9 (1) | O(2)—K(901)—O(2) | 179 (3) |
O(1)—K(901)—Nb(900) | 149.1 (1) | | |
Crystal data top
K0.67NbO3.5 | Dx = 0.986 Mg m−3 Dm = 3.000 Mg m−3 Dm measured by ? |
Mr = 204 | Mo Kα radiation, λ = 0.7107 Å |
Cubic, Fd3m:1 | Cell parameters from 5 reflections |
Hall symbol: -F 4vw 2vw 3 | θ = 6.3–10.9° |
a = 10.665 (8) Å | µ = 1.28 mm−1 |
V = 1212 (1) Å3 | T = 298 K |
Z = 4 | Prismatic, colorless |
F(000) = 336.00 | 0.20 × 0.20 × 0.20 mm |
Data collection top
Rigaku AFC7R diffractometer | θmax = 44.6° |
ω–2θ scans | h = −7→21 |
352 measured reflections | k = 0→14 |
325 independent reflections | l = −12→4 |
131 reflections with F2 > 2.0σ(F2) | 3 standard reflections every 0 reflections |
Rint = 0.045 | intensity decay: 0.00% |
Refinement top
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/σ2(Fo) |
R[F2 > 2σ(F2)] = 0.042 | (Δ/σ)max = 0.164 |
wR(F2) = 0.046 | Δρmax = 25.40 e Å−3 |
S = 1.95 | Δρmin = −33.80 e Å−3 |
325 reflections | Extinction correction: Larson (1970) Crystallographic Computing eq. 22 |
12 parameters | Extinction coefficient: 21 (1) |
Special details top
Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY |
Refinement. Refinement using all reflections. The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are
based on F, with F set to zero for negative F. The threshold expression of
F2 > 2.0 sigma(F2) is used only for calculating R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Nb(900) | 0.2500 | 0.2500 | 0.0000 | 0.0207 (3) | |
K(901) | 0.5000 | −0.2500 | −0.2500 | 0.037 (2) | 0.67 |
O(1) | 0.1250 | 0.3102 (6) | 0.1250 | 0.008 (1) | |
O(2) | 0.3750 | 0.3750 | 0.3750 | 0.38 (2) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Nb(900) | 0.0207 (6) | 0.0207 (6) | 0.0207 (6) | −0.0025 (7) | 0.0025 (7) | 0.0025 (7) |
K(901) | 0.037 (3) | 0.037 (3) | 0.037 (3) | −0.025 (3) | −0.025 (3) | 0.025 (3) |
O(1) | 0.009 (2) | 0.004 (3) | 0.009 (2) | 0.0000 | 0.003 (3) | 0.0000 |
O(2) | 0.38 (4) | 0.38 (4) | 0.38 (4) | 0.0000 | 0.0000 | 0.0000 |
Geometric parameters (Å, º) top
Nb(900)—K(901) | 3.8 (1) | K(901)—Nb(900) | 3.8 (1) |
Nb(900)—K(901) | 3.8 (1) | K(901)—K(901) | 3.8 (1) |
Nb(900)—K(901) | 3.8 (1) | K(901)—K(901) | 3.8 (1) |
Nb(900)—K(901) | 3.8 (1) | K(901)—K(901) | 3.8 (1) |
Nb(900)—K(901) | 3.8 (1) | K(901)—K(901) | 3.8 (1) |
Nb(900)—K(901) | 3.8 (1) | K(901)—K(901) | 3.8 (1) |
Nb(900)—O(1) | 1.992 (2) | K(901)—K(901) | 3.8 (1) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.766 (4) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.766 (4) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.766 (3) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.766 (3) |
Nb(900)—O(1) | 1.992 (2) | K(901)—O(1) | 2.766 (3) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(1) | 2.766 (3) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(2) | 2.3 (1) |
Nb(900)—O(1) | 1.992 (4) | K(901)—O(2) | 2.3 (1) |
Nb(900)—O(1) | 1.992 (4) | O(1)—Nb(900) | 1.992 (2) |
Nb(900)—O(1) | 1.992 (4) | O(1)—K(901) | 2.766 (4) |
Nb(900)—O(1) | 1.992 (4) | O(1)—K(901) | 2.766 (4) |
K(901)—Nb(900) | 3.8 (1) | O(2)—K(901) | 2.3 (1) |
K(901)—Nb(900) | 3.8 (1) | O(2)—K(901) | 2.3 (1) |
K(901)—Nb(900) | 3.8 (1) | O(2)—K(901) | 2.3 (1) |
K(901)—Nb(900) | 3.8 (1) | O(2)—K(901) | 2.3 (1) |
K(901)—Nb(900) | 3.8 (1) | | |
| | | |
O(1)···O(1) | 2.793 (6) | O(1)···O(1) | 2.840 (2) |
O(1)···O(1) | 2.793 (6) | O(1)···O(1) | 2.840 (2) |
O(1)···O(1) | 2.793 (6) | O(1)···O(1) | 2.793 (6) |
O(1)···O(1) | 2.793 (6) | O(1)···O(1) | 2.793 (6) |
O(1)···O(1) | 2.793 (6) | O(1)···O(1) | 2.793 (6) |
O(1)···O(1) | 2.793 (6) | O(1)···O(1) | 2.793 (6) |
O(1)···O(1) | 2.840 (2) | O(1)···O(2) | 3.357 (6) |
O(1)···O(1) | 2.840 (2) | O(2)···O(1) | 3.3573 (1) |
O(1)···O(1) | 2.793 (6) | O(2)···O(1) | 3.3573 (1) |
O(1)···O(1) | 2.793 (6) | O(2)···O(1) | 3.357 (6) |
O(1)···O(1) | 2.793 (6) | O(2)···O(1) | 3.3573 (1) |
O(1)···O(1) | 2.793 (6) | O(2)···O(1) | 3.357 (6) |
O(1)···O(1) | 2.793 (6) | O(2)···O(1) | 3.3573 (1) |
O(1)···O(1) | 2.793 (6) | | |
| | | |
Nb(900)—K(901)—Nb(900) | 60 (2) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 59 (2) | K(901)—Nb(900)—O(1) | 90.0000 |
K(901)—Nb(900)—K(901) | 119 (2) | K(901)—Nb(900)—O(1) | 45.5 (1) |
Nb(900)—K(901)—K(901) | 59 (2) | O(1)—K(901)—Nb(900) | 30.9 (1) |
K(901)—Nb(900)—K(901) | 60 (2) | O(1)—K(901)—Nb(900) | 149.1 (1) |
Nb(900)—K(901)—K(901) | 60 (2) | K(901)—Nb(900)—O(1) | 45.5 (1) |
K(901)—Nb(900)—K(901) | 59 (2) | O(1)—K(901)—Nb(900) | 30.9 (1) |
K(901)—Nb(900)—K(901) | 119 (2) | O(1)—K(901)—Nb(900) | 149.1 (1) |
K(901)—Nb(900)—K(901) | 179 (4) | K(901)—Nb(900)—O(1) | 90.0000 |
Nb(900)—K(901)—O(1) | 30.88 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
O(1)—Nb(900)—K(901) | 45.5 (1) | K(901)—K(901)—K(901) | 119 (2) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—K(901) | 119 (2) |
O(1)—Nb(900)—K(901) | 90.0 (1) | O(2)—K(901)—K(901) | 144 (3) |
Nb(900)—K(901)—O(1) | 30.88 (7) | K(901)—K(901)—Nb(900) | 59 (2) |
O(1)—Nb(900)—K(901) | 45.47 (6) | K(901)—K(901)—Nb(900) | 59 (2) |
O(1)—Nb(900)—K(901) | 134.5 (1) | K(901)—K(901)—K(901) | 59 (2) |
O(1)—Nb(900)—K(901) | 134.53 (6) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—O(1) | 90.00 (9) | K(901)—K(901)—K(901) | 179 (4) |
Nb(900)—K(901)—O(1) | 90.00 (9) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—O(2) | 89 (3) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—O(2) | 90 (3) | O(1)—K(901)—K(901) | 132.96 (9) |
Nb(900)—K(901)—Nb(900) | 119 (2) | K(901)—K(901)—O(1) | 47.04 (9) |
Nb(900)—K(901)—K(901) | 89 (2) | O(1)—K(901)—K(901) | 47.04 (9) |
Nb(900)—K(901)—O(1) | 149.12 (7) | O(1)—K(901)—K(901) | 79.82 (1) |
Nb(900)—K(901)—Nb(900) | 119 (2) | K(901)—K(901)—O(1) | 79.82 (1) |
Nb(900)—K(901)—K(901) | 119 (2) | O(1)—K(901)—K(901) | 100.18 (1) |
Nb(900)—K(901)—O(1) | 149.12 (2) | K(901)—K(901)—O(1) | 79.82 (1) |
Nb(900)—K(901)—Nb(900) | 59 (2) | O(1)—K(901)—K(901) | 100.18 (1) |
Nb(900)—K(901)—Nb(900) | 59 (2) | O(1)—K(901)—K(901) | 79.82 (1) |
Nb(900)—K(901)—K(901) | 59 (2) | K(901)—K(901)—O(2) | 35 (2) |
K(901)—Nb(900)—K(901) | 59 (2) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—Nb(900)—K(901) | 179 (4) | K(901)—K(901)—K(901) | 119 (2) |
K(901)—Nb(900)—K(901) | 119 (2) | K(901)—K(901)—K(901) | 179 (4) |
Nb(900)—K(901)—K(901) | 59 (2) | O(2)—K(901)—K(901) | 144 (3) |
K(901)—Nb(900)—K(901) | 59 (2) | K(901)—K(901)—Nb(900) | 59 (2) |
O(1)—Nb(900)—K(901) | 134.5 (1) | K(901)—K(901)—Nb(900) | 59 (2) |
Nb(900)—K(901)—O(1) | 30.88 (7) | K(901)—K(901)—K(901) | 59 (2) |
O(1)—Nb(900)—K(901) | 45.47 (6) | K(901)—K(901)—K(901) | 119 (2) |
O(1)—Nb(900)—K(901) | 134.53 (6) | K(901)—K(901)—K(901) | 59 (2) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—O(1) | 30.88 (2) | O(1)—K(901)—K(901) | 79.82 (7) |
O(1)—Nb(900)—K(901) | 45.5 (1) | K(901)—K(901)—O(1) | 79.8 (1) |
Nb(900)—K(901)—O(1) | 90.00 (9) | O(1)—K(901)—K(901) | 100.18 (7) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—O(1) | 79.82 (7) |
Nb(900)—K(901)—O(1) | 90.00 (9) | O(1)—K(901)—K(901) | 79.8 (1) |
Nb(900)—K(901)—O(2) | 89 (3) | O(1)—K(901)—K(901) | 100.2 (1) |
Nb(900)—K(901)—O(2) | 89 (3) | K(901)—K(901)—O(1) | 47.04 (7) |
Nb(900)—K(901)—K(901) | 119 (2) | O(1)—K(901)—K(901) | 47.04 (7) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(1)—K(901)—K(901) | 132.96 (7) |
Nb(900)—K(901)—Nb(900) | 179 (4) | K(901)—K(901)—O(2) | 35 (2) |
Nb(900)—K(901)—K(901) | 89 (2) | O(2)—K(901)—K(901) | 35 (2) |
Nb(900)—K(901)—O(1) | 149.12 (7) | K(901)—K(901)—Nb(900) | 119 (2) |
Nb(900)—K(901)—O(1) | 149.12 (2) | K(901)—K(901)—Nb(900) | 119 (2) |
Nb(900)—K(901)—Nb(900) | 60 (2) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—Nb(900) | 59 (2) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—K(901) | 59 (2) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—K(901) | 60 (2) | K(901)—K(901)—K(901) | 59 (2) |
K(901)—Nb(900)—K(901) | 119 (2) | K(901)—K(901)—O(1) | 132.96 (9) |
K(901)—Nb(900)—K(901) | 179 (4) | K(901)—K(901)—O(1) | 100.18 (1) |
K(901)—Nb(900)—K(901) | 119 (2) | K(901)—K(901)—O(1) | 100.18 (1) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—O(2) | 35 (2) |
Nb(900)—K(901)—O(1) | 30.9 (1) | O(2)—K(901)—K(901) | 35 (2) |
O(1)—Nb(900)—K(901) | 45.5 (1) | K(901)—K(901)—Nb(900) | 59 (2) |
O(1)—Nb(900)—K(901) | 134.5 (1) | K(901)—K(901)—Nb(900) | 59 (2) |
Nb(900)—K(901)—O(1) | 30.9 (1) | K(901)—K(901)—K(901) | 119 (2) |
O(1)—Nb(900)—K(901) | 45.5 (1) | K(901)—K(901)—O(1) | 47.04 (9) |
O(1)—Nb(900)—K(901) | 90.0000 | O(1)—K(901)—K(901) | 47.04 (9) |
Nb(900)—K(901)—O(1) | 90.0000 | O(1)—K(901)—K(901) | 132.96 (9) |
O(1)—Nb(900)—K(901) | 134.5 (1) | O(1)—K(901)—K(901) | 100.18 (1) |
Nb(900)—K(901)—O(1) | 90.0000 | O(1)—K(901)—K(901) | 79.82 (1) |
Nb(900)—K(901)—O(2) | 89 (3) | K(901)—K(901)—O(1) | 79.82 (1) |
Nb(900)—K(901)—O(2) | 90 (3) | O(1)—K(901)—K(901) | 79.82 (1) |
Nb(900)—K(901)—K(901) | 89 (2) | O(1)—K(901)—K(901) | 100.18 (1) |
Nb(900)—K(901)—Nb(900) | 179 (4) | K(901)—K(901)—O(1) | 79.82 (1) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—K(901) | 144 (3) |
Nb(900)—K(901)—Nb(900) | 119 (2) | K(901)—K(901)—Nb(900) | 119 (2) |
Nb(900)—K(901)—K(901) | 119 (2) | K(901)—K(901)—Nb(900) | 89 (2) |
Nb(900)—K(901)—O(1) | 149.1 (1) | K(901)—K(901)—K(901) | 179 (4) |
Nb(900)—K(901)—O(1) | 149.1 (1) | K(901)—K(901)—K(901) | 60 (2) |
Nb(900)—K(901)—Nb(900) | 59 (2) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—Nb(900) | 59 (2) | K(901)—K(901)—O(1) | 132.96 (7) |
Nb(900)—K(901)—K(901) | 59 (2) | K(901)—K(901)—O(1) | 100.18 (7) |
Nb(900)—K(901)—K(901) | 59 (2) | K(901)—K(901)—O(1) | 100.2 (1) |
K(901)—Nb(900)—K(901) | 59 (2) | K(901)—K(901)—O(1) | 79.8 (1) |
K(901)—Nb(900)—K(901) | 119 (2) | K(901)—K(901)—O(2) | 144 (3) |
Nb(900)—K(901)—O(1) | 30.88 (2) | K(901)—K(901)—O(2) | 35 (2) |
O(1)—Nb(900)—K(901) | 45.5 (1) | O(2)—K(901)—K(901) | 35 (2) |
O(1)—Nb(900)—K(901) | 134.53 (6) | K(901)—K(901)—Nb(900) | 59 (2) |
Nb(900)—K(901)—O(1) | 30.88 (7) | K(901)—K(901)—Nb(900) | 59 (2) |
O(1)—Nb(900)—K(901) | 45.47 (6) | K(901)—K(901)—K(901) | 60 (2) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—K(901) | 179 (4) |
O(1)—Nb(900)—K(901) | 134.5 (1) | O(1)—K(901)—K(901) | 100.18 (7) |
Nb(900)—K(901)—O(1) | 90.00 (9) | O(1)—K(901)—K(901) | 79.82 (7) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—O(1) | 47.04 (7) |
Nb(900)—K(901)—O(1) | 90.00 (9) | O(1)—K(901)—K(901) | 47.04 (7) |
Nb(900)—K(901)—O(2) | 89 (3) | O(1)—K(901)—K(901) | 132.96 (7) |
Nb(900)—K(901)—O(2) | 89 (3) | O(1)—K(901)—K(901) | 79.8 (1) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(1)—K(901)—K(901) | 100.2 (1) |
Nb(900)—K(901)—K(901) | 89 (2) | K(901)—K(901)—O(1) | 79.82 (7) |
Nb(900)—K(901)—O(1) | 149.12 (7) | O(2)—K(901)—K(901) | 144 (3) |
Nb(900)—K(901)—Nb(900) | 60 (2) | K(901)—K(901)—K(901) | 119 (2) |
Nb(900)—K(901)—Nb(900) | 59 (2) | O(2)—K(901)—K(901) | 144 (3) |
Nb(900)—K(901)—K(901) | 60 (2) | K(901)—K(901)—Nb(900) | 59 (2) |
Nb(900)—K(901)—K(901) | 59 (2) | K(901)—K(901)—Nb(900) | 59 (2) |
K(901)—Nb(900)—K(901) | 60 (2) | K(901)—K(901)—K(901) | 60 (2) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—K(901) | 60 (2) |
O(1)—Nb(900)—K(901) | 134.5 (1) | O(1)—K(901)—K(901) | 79.82 (7) |
Nb(900)—K(901)—O(1) | 30.9 (1) | K(901)—K(901)—O(1) | 79.8 (1) |
O(1)—Nb(900)—K(901) | 45.5 (1) | O(1)—K(901)—K(901) | 100.18 (7) |
O(1)—Nb(900)—K(901) | 134.5 (1) | O(1)—K(901)—K(901) | 132.96 (7) |
O(1)—Nb(900)—K(901) | 90.0000 | K(901)—K(901)—O(1) | 47.04 (7) |
Nb(900)—K(901)—O(1) | 30.9 (1) | O(1)—K(901)—K(901) | 47.04 (7) |
O(1)—Nb(900)—K(901) | 45.5 (1) | O(1)—K(901)—K(901) | 100.2 (1) |
Nb(900)—K(901)—O(1) | 90.0000 | O(1)—K(901)—K(901) | 79.8 (1) |
Nb(900)—K(901)—O(1) | 90.0000 | K(901)—K(901)—O(1) | 79.82 (7) |
Nb(900)—K(901)—O(2) | 90 (3) | K(901)—K(901)—O(2) | 35 (2) |
Nb(900)—K(901)—O(2) | 89 (3) | O(2)—K(901)—K(901) | 35 (2) |
Nb(900)—K(901)—K(901) | 89 (2) | K(901)—K(901)—Nb(900) | 89 (2) |
Nb(900)—K(901)—Nb(900) | 60 (2) | K(901)—K(901)—Nb(900) | 119 (2) |
Nb(900)—K(901)—Nb(900) | 59 (2) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—K(901) | 60 (2) | K(901)—K(901)—K(901) | 179 (4) |
Nb(900)—K(901)—K(901) | 59 (2) | K(901)—K(901)—O(1) | 100.18 (7) |
O(1)—Nb(900)—K(901) | 134.5 (1) | K(901)—K(901)—O(1) | 132.96 (7) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—O(1) | 79.8 (1) |
O(1)—Nb(900)—K(901) | 90.0 (1) | K(901)—K(901)—O(1) | 100.2 (1) |
O(1)—Nb(900)—K(901) | 134.53 (6) | K(901)—K(901)—O(2) | 35 (2) |
Nb(900)—K(901)—O(1) | 30.88 (2) | O(2)—K(901)—K(901) | 35 (2) |
O(1)—Nb(900)—K(901) | 45.5 (1) | K(901)—K(901)—O(2) | 144 (3) |
Nb(900)—K(901)—O(1) | 30.88 (7) | K(901)—K(901)—Nb(900) | 59 (2) |
O(1)—Nb(900)—K(901) | 45.47 (6) | K(901)—K(901)—Nb(900) | 59 (2) |
Nb(900)—K(901)—O(1) | 90.00 (9) | K(901)—K(901)—K(901) | 59 (2) |
Nb(900)—K(901)—O(1) | 90.00 (9) | O(1)—K(901)—K(901) | 100.18 (7) |
Nb(900)—K(901)—O(2) | 90 (3) | K(901)—K(901)—O(1) | 79.82 (7) |
Nb(900)—K(901)—O(2) | 89 (3) | O(1)—K(901)—K(901) | 79.82 (7) |
Nb(900)—K(901)—K(901) | 119 (2) | O(1)—K(901)—K(901) | 100.2 (1) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(1)—K(901)—K(901) | 79.8 (1) |
Nb(900)—K(901)—Nb(900) | 179 (4) | O(1)—K(901)—K(901) | 132.96 (7) |
Nb(900)—K(901)—K(901) | 89 (2) | K(901)—K(901)—O(1) | 47.04 (7) |
Nb(900)—K(901)—O(1) | 149.12 (2) | O(1)—K(901)—K(901) | 47.04 (7) |
Nb(900)—K(901)—O(1) | 149.12 (7) | O(2)—K(901)—K(901) | 144 (3) |
Nb(900)—O(1)—Nb(900) | 142.4 (3) | O(2)—K(901)—O(1) | 82.30 (9) |
Nb(900)—O(1)—K(901) | 103.6 (1) | K(901)—O(1)—Nb(900) | 103.6 (1) |
Nb(900)—O(1)—K(901) | 103.6 (1) | K(901)—O(1)—Nb(900) | 103.6 (1) |
O(1)—Nb(900)—O(1) | 89.1 (1) | K(901)—O(1)—K(901) | 85.9 (2) |
O(1)—Nb(900)—O(1) | 90.9 (1) | O(1)—K(901)—O(1) | 180.0 (1) |
O(1)—Nb(900)—O(1) | 90.9 (1) | O(1)—K(901)—O(1) | 118.23 (7) |
O(1)—Nb(900)—O(1) | 89.1 (1) | O(1)—K(901)—O(1) | 61.77 (7) |
Nb(900)—O(1)—Nb(900) | 142.3940 (9) | O(1)—K(901)—O(1) | 61.77 (7) |
Nb(900)—O(1)—K(901) | 103.64 (1) | O(1)—K(901)—O(1) | 118.23 (7) |
Nb(900)—O(1)—K(901) | 103.6 (2) | O(2)—K(901)—O(1) | 97.70 (9) |
O(1)—Nb(900)—O(1) | 90.9 (2) | O(2)—K(901)—O(1) | 97.70 (9) |
O(1)—Nb(900)—O(1) | 90.9 (1) | K(901)—O(1)—Nb(900) | 103.6 (1) |
O(1)—Nb(900)—O(1) | 89.1 (2) | K(901)—O(1)—Nb(900) | 103.6 (1) |
Nb(900)—O(1)—Nb(900) | 142.3940 (9) | K(901)—O(1)—K(901) | 85.9 (2) |
Nb(900)—O(1)—K(901) | 103.64 (1) | O(1)—K(901)—O(1) | 61.77 (7) |
Nb(900)—O(1)—K(901) | 103.6 (2) | O(1)—K(901)—O(1) | 118.23 (7) |
O(1)—Nb(900)—O(1) | 89.1 (2) | O(1)—K(901)—O(1) | 118.23 (7) |
O(1)—Nb(900)—O(1) | 89.1 (1) | O(1)—K(901)—O(1) | 61.77 (7) |
O(1)—Nb(900)—O(1) | 90.9 (2) | O(2)—K(901)—O(1) | 82.30 (9) |
Nb(900)—O(1)—Nb(900) | 142.3940 (9) | K(901)—O(1)—K(901) | 85.9276 (3) |
Nb(900)—O(1)—K(901) | 103.64 (1) | O(2)—K(901)—O(1) | 82.30 (7) |
Nb(900)—O(1)—K(901) | 103.6 (2) | K(901)—O(1)—Nb(900) | 103.64 (1) |
O(1)—Nb(900)—O(1) | 89.1 (1) | K(901)—O(1)—Nb(900) | 103.6 (2) |
O(1)—Nb(900)—O(1) | 180.0 (2) | O(1)—K(901)—O(1) | 61.8 (1) |
Nb(900)—O(1)—Nb(900) | 142.4 (3) | O(1)—K(901)—O(1) | 118.2 (1) |
Nb(900)—O(1)—K(901) | 103.6 (1) | O(2)—K(901)—O(1) | 97.70 (7) |
Nb(900)—O(1)—K(901) | 103.6 (1) | O(2)—K(901)—O(1) | 97.70 (7) |
O(1)—Nb(900)—O(1) | 90.9 (1) | K(901)—O(1)—Nb(900) | 103.64 (1) |
Nb(900)—O(1)—Nb(900) | 142.3940 (9) | K(901)—O(1)—Nb(900) | 103.6 (2) |
Nb(900)—O(1)—K(901) | 103.6 (2) | K(901)—O(1)—K(901) | 85.9276 (3) |
Nb(900)—O(1)—K(901) | 103.64 (1) | O(1)—K(901)—O(1) | 118.2 (1) |
K(901)—K(901)—Nb(900) | 89 (2) | O(1)—K(901)—O(1) | 61.8 (1) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—O(1) | 82.30 (7) |
O(2)—K(901)—Nb(900) | 89 (3) | O(2)—K(901)—O(1) | 97.70 (7) |
Nb(900)—K(901)—Nb(900) | 59 (2) | K(901)—O(1)—Nb(900) | 103.64 (1) |
Nb(900)—K(901)—Nb(900) | 179 (4) | K(901)—O(1)—Nb(900) | 103.6 (2) |
Nb(900)—K(901)—Nb(900) | 119 (2) | K(901)—O(1)—K(901) | 85.9276 (3) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(1)—K(901)—O(1) | 180.0 (2) |
Nb(900)—K(901)—Nb(900) | 59 (2) | O(2)—K(901)—O(1) | 82.30 (7) |
K(901)—K(901)—Nb(900) | 119 (2) | K(901)—O(1)—K(901) | 85.9276 (3) |
K(901)—Nb(900)—K(901) | 59 (2) | O(2)—K(901)—O(1) | 82.30 (7) |
K(901)—K(901)—Nb(900) | 59 (2) | K(901)—O(1)—Nb(900) | 103.64 (1) |
K(901)—Nb(900)—K(901) | 59 (2) | K(901)—O(1)—Nb(900) | 103.6 (2) |
K(901)—K(901)—Nb(900) | 59 (2) | O(2)—K(901)—O(1) | 97.70 (7) |
K(901)—K(901)—Nb(900) | 89 (2) | O(2)—K(901)—O(2) | 179 (7) |
K(901)—Nb(900)—O(1) | 45.5 (1) | K(901)—O(2)—K(901) | 109 (4) |
O(1)—K(901)—Nb(900) | 30.88 (2) | K(901)—O(2)—K(901) | 109 (4) |
K(901)—Nb(900)—O(1) | 90.0 (1) | K(901)—O(2)—K(901) | 109 (4) |
O(1)—K(901)—Nb(900) | 149.12 (2) | K(901)—O(2)—K(901) | 109 (4) |
O(1)—K(901)—Nb(900) | 90.00 (9) | K(901)—O(2)—K(901) | 109 (4) |
O(1)—K(901)—Nb(900) | 90.00 (9) | K(901)—O(2)—K(901) | 109 (4) |
K(901)—Nb(900)—O(1) | 45.47 (6) | O(1)—Nb(900)—K(901) | 45.5 (1) |
O(1)—K(901)—Nb(900) | 30.88 (7) | K(901)—O(1)—Nb(900) | 103.6 (1) |
O(1)—K(901)—Nb(900) | 149.12 (7) | O(1)—Nb(900)—K(901) | 45.5 (1) |
K(901)—Nb(900)—O(1) | 90.0 (1) | K(901)—O(1)—Nb(900) | 103.6 (1) |
O(2)—K(901)—Nb(900) | 89 (3) | O(1)—Nb(900)—O(1) | 89.1 (1) |
K(901)—K(901)—Nb(900) | 119 (2) | O(1)—Nb(900)—O(1) | 89.1 (1) |
K(901)—K(901)—Nb(900) | 89 (2) | O(1)—Nb(900)—O(1) | 90.9 (1) |
O(2)—K(901)—Nb(900) | 89 (3) | O(1)—Nb(900)—O(1) | 90.9 (1) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(1)—Nb(900)—K(901) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 60 (2) | O(1)—Nb(900)—K(901) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 179 (4) | O(1)—K(901)—Nb(900) | 30.88 (2) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(1)—K(901)—Nb(900) | 90.0000 |
K(901)—K(901)—Nb(900) | 119 (2) | O(1)—K(901)—K(901) | 79.82 (7) |
K(901)—K(901)—Nb(900) | 89 (2) | O(1)—K(901)—K(901) | 47.04 (9) |
K(901)—Nb(900)—K(901) | 60 (2) | K(901)—O(1)—K(901) | 85.9 (2) |
K(901)—K(901)—Nb(900) | 59 (2) | O(1)—K(901)—O(1) | 61.77 (7) |
K(901)—Nb(900)—K(901) | 59 (2) | O(1)—K(901)—O(1) | 61.77 (7) |
K(901)—K(901)—Nb(900) | 60 (2) | O(1)—K(901)—O(1) | 118.23 (7) |
K(901)—Nb(900)—O(1) | 45.5 (1) | O(1)—K(901)—O(2) | 97.70 (9) |
O(1)—K(901)—Nb(900) | 30.88 (2) | O(1)—K(901)—O(2) | 82.30 (9) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—Nb(900) | 90.0000 |
O(1)—K(901)—Nb(900) | 149.12 (2) | O(1)—K(901)—K(901) | 79.82 (7) |
O(1)—K(901)—Nb(900) | 149.12 (7) | O(1)—K(901)—O(1) | 118.23 (7) |
K(901)—Nb(900)—O(1) | 45.47 (6) | O(1)—K(901)—Nb(900) | 149.12 (2) |
O(1)—K(901)—Nb(900) | 30.88 (7) | O(1)—K(901)—Nb(900) | 149.12 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—K(901) | 132.96 (9) |
O(1)—K(901)—Nb(900) | 90.00 (9) | O(1)—K(901)—Nb(900) | 30.88 (2) |
O(1)—K(901)—Nb(900) | 90.00 (9) | O(1)—K(901)—Nb(900) | 90.0000 |
O(2)—K(901)—Nb(900) | 90 (3) | O(1)—K(901)—K(901) | 47.04 (9) |
K(901)—K(901)—Nb(900) | 89 (2) | O(1)—K(901)—K(901) | 79.82 (7) |
K(901)—Nb(900)—K(901) | 59 (2) | O(1)—K(901)—O(1) | 61.77 (7) |
K(901)—K(901)—Nb(900) | 59 (2) | O(1)—K(901)—O(1) | 118.23 (7) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(1)—K(901)—O(1) | 61.77 (7) |
O(2)—K(901)—Nb(900) | 89 (3) | O(1)—K(901)—O(2) | 82.30 (9) |
Nb(900)—K(901)—Nb(900) | 59 (2) | O(1)—K(901)—O(2) | 97.70 (9) |
Nb(900)—K(901)—Nb(900) | 59 (2) | O(1)—K(901)—Nb(900) | 90.0000 |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(1)—K(901)—K(901) | 79.82 (7) |
K(901)—Nb(900)—K(901) | 59 (2) | O(1)—K(901)—O(1) | 118.23 (7) |
K(901)—K(901)—Nb(900) | 59 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—K(901)—Nb(900) | 89 (2) | K(901)—O(2)—K(901) | 109 (4) |
O(1)—K(901)—Nb(900) | 149.12 (2) | O(2)—K(901)—K(901) | 144 (3) |
K(901)—Nb(900)—O(1) | 45.5 (1) | O(2)—K(901)—O(1) | 82.30 (7) |
O(1)—K(901)—Nb(900) | 30.88 (2) | O(2)—K(901)—O(1) | 82.30 (7) |
O(1)—K(901)—Nb(900) | 90.00 (9) | O(2)—K(901)—O(1) | 97.70 (7) |
O(1)—K(901)—Nb(900) | 90.00 (9) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—K(901) | 35 (2) |
O(1)—K(901)—Nb(900) | 149.12 (7) | K(901)—O(2)—K(901) | 109 (4) |
K(901)—Nb(900)—O(1) | 45.47 (6) | O(2)—K(901)—O(1) | 97.70 (7) |
O(1)—K(901)—Nb(900) | 30.88 (7) | O(2)—K(901)—Nb(900) | 90 (3) |
O(2)—K(901)—Nb(900) | 89 (3) | O(2)—K(901)—Nb(900) | 90 (3) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—Nb(900)—K(901) | 60 (2) | K(901)—O(2)—K(901) | 109 (4) |
K(901)—K(901)—Nb(900) | 59 (2) | O(2)—K(901)—O(1) | 82.30 (9) |
O(2)—K(901)—Nb(900) | 89 (3) | O(2)—K(901)—Nb(900) | 89 (3) |
Nb(900)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
Nb(900)—K(901)—Nb(900) | 179 (4) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—K(901)—Nb(900) | 89 (2) | O(2)—K(901)—K(901) | 144 (3) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—O(1) | 97.70 (7) |
K(901)—K(901)—Nb(900) | 89 (2) | O(2)—K(901)—O(1) | 82.30 (7) |
K(901)—Nb(900)—K(901) | 59 (2) | O(2)—K(901)—O(1) | 82.30 (9) |
K(901)—K(901)—Nb(900) | 60 (2) | O(2)—K(901)—O(1) | 97.70 (9) |
O(1)—K(901)—Nb(900) | 90.0000 | O(2)—K(901)—O(2) | 179 (7) |
K(901)—Nb(900)—O(1) | 90.0000 | O(2)—K(901)—K(901) | 35 (2) |
O(1)—K(901)—Nb(900) | 90.0000 | K(901)—O(2)—K(901) | 109 (4) |
O(1)—K(901)—Nb(900) | 149.1 (1) | O(2)—K(901)—Nb(900) | 90 (3) |
K(901)—Nb(900)—O(1) | 45.5 (1) | O(2)—K(901)—Nb(900) | 89 (3) |
O(1)—K(901)—Nb(900) | 30.9 (1) | O(2)—K(901)—Nb(900) | 90 (3) |
O(1)—K(901)—Nb(900) | 149.1 (1) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—Nb(900)—O(1) | 45.5 (1) | K(901)—O(2)—K(901) | 109 (4) |
O(1)—K(901)—Nb(900) | 30.9 (1) | O(2)—K(901)—O(1) | 97.70 (7) |
K(901)—Nb(900)—O(1) | 90.0000 | O(2)—K(901)—O(1) | 82.30 (7) |
O(2)—K(901)—Nb(900) | 90 (3) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—Nb(900)—K(901) | 59 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—K(901)—Nb(900) | 60 (2) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—K(901)—Nb(900) | 89 (2) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—O(1) | 97.70 (7) |
O(2)—K(901)—Nb(900) | 90 (3) | O(2)—K(901)—O(1) | 82.30 (9) |
Nb(900)—K(901)—Nb(900) | 60 (2) | O(2)—K(901)—O(1) | 82.30 (7) |
K(901)—Nb(900)—K(901) | 60 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—K(901)—Nb(900) | 59 (2) | O(2)—K(901)—Nb(900) | 90 (3) |
K(901)—K(901)—Nb(900) | 89 (2) | O(2)—K(901)—Nb(900) | 90 (3) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—K(901) | 35 (2) |
O(1)—K(901)—Nb(900) | 149.12 (2) | K(901)—O(2)—K(901) | 109 (4) |
K(901)—Nb(900)—O(1) | 45.5 (1) | O(2)—K(901)—O(1) | 82.30 (7) |
O(1)—K(901)—Nb(900) | 30.88 (2) | O(2)—K(901)—O(1) | 97.70 (9) |
K(901)—Nb(900)—O(1) | 45.47 (6) | O(2)—K(901)—O(1) | 97.70 (7) |
O(1)—K(901)—Nb(900) | 30.88 (7) | O(2)—K(901)—K(901) | 35 (2) |
K(901)—Nb(900)—O(1) | 90.0 (1) | O(2)—K(901)—K(901) | 35 (2) |
O(1)—K(901)—Nb(900) | 149.12 (7) | O(2)—K(901)—K(901) | 35 (2) |
O(1)—K(901)—Nb(900) | 90.00 (9) | O(2)—K(901)—Nb(900) | 89 (3) |
O(1)—K(901)—Nb(900) | 90.00 (9) | O(2)—K(901)—Nb(900) | 89 (3) |
O(2)—K(901)—Nb(900) | 89 (3) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—Nb(900)—K(901) | 59 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—K(901)—Nb(900) | 60 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—Nb(900) | 89 (3) |
O(2)—K(901)—Nb(900) | 90 (3) | O(2)—K(901)—O(1) | 82.30 (7) |
K(901)—K(901)—Nb(900) | 89 (2) | O(2)—K(901)—O(1) | 97.70 (7) |
K(901)—Nb(900)—K(901) | 60 (2) | O(2)—K(901)—O(1) | 82.30 (7) |
K(901)—K(901)—Nb(900) | 59 (2) | O(2)—K(901)—O(1) | 82.30 (9) |
K(901)—K(901)—Nb(900) | 89 (2) | O(2)—K(901)—O(1) | 97.70 (9) |
K(901)—K(901)—Nb(900) | 119 (2) | O(2)—K(901)—O(1) | 97.70 (7) |
O(1)—K(901)—Nb(900) | 90.0000 | | |