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Using electrodeposition from a bath of molten fluorides, single crystals of tetragonal β-tantalum have been obtained for the first time at normal pressure. The unit-cell parameters are
a = 10.211 (3),
c = 5.3064 (10) Å, space group
P2
1m. The β-Ta structure belongs to the σ-type Frank–Kasper structures which are typical for binary intermetallic compounds and β-U. In comparison to the σ-type, additional intercalated Ta atoms (population factor ∼0.01) have been detected between the atoms located in the channels of the structure. The shorter interatomic distances observed between the channel atoms in comparison with the atoms of the framework justify the `self-hosting' characteristic. β-Ta exhibits common features with the complex tetragonal structures of the high-pressure phases for the elements Rb, Ba, Sr, Bi and Sb.
Supporting information
Data collection: Oxford Diffraction Ltd, 2001. CrysAlis Software System, Vertion 1.166.
Oxford. England.; cell refinement: CRYSALIS DATA REDUCTION (KM4 Software, Version 1.164
(release 08.06.00 CrysAlis164)); data reduction: CRYSALIS DATA REDUCTION (KM4 Software, Version 1.164
(release 08.06.00 CrysAlis164)); program(s) used to refine structure: Jana2000 (V.Petricek & M.Dusek, 2001).
Crystal data top
Ta30 | Dx = 16.287 Mg m−3 |
Mr = 5428.4 | Mo Kα radiation, λ = 0.71069 Å |
Tetragonal, P421m | Cell parameters from 2054 reflections |
a = 10.211 (3) Å | θ = 3.8–51.7° |
c = 5.3064 (10) Å | µ = 147.48 mm−1 |
V = 553.3 (2) Å3 | T = 295 K |
Z = 1 | Isometric, silver |
F(000) = 2190 | 0.02 × 0.02 × 0.02 × 0.02 (radius) mm |
Data collection top
KM4CCD diffractometer | 1398 reflections with 5 |
ο scans | Rint = 0.145 |
Absorption correction: for a sphere | θmax = 51.9°, θmin = 3.8° |
Tmin = 0.028, Tmax = 0.086 | h = −15→15 |
15963 measured reflections | k = −21→21 |
3114 independent reflections | l = 0→11 |
Refinement top
Refinement on F | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.057 | (Δ/σ)max = 0.006 |
wR(F2) = 0.030 | Δρmax = 19.99 e Å−3 |
S = 3.88 | Δρmin = −11.39 e Å−3 |
1398 reflections | Extinction correction: B-C type 1 Gaussian isotropic |
230 parameters | Extinction coefficient: 0.00150 (13) |
Primary atom site location: Paterson function | |
Special details top
Refinement. The unit cell parameters were refined from 2054 diffraction
reflections with F2 > 7σ(F2). Taken into account high values
of R(avr)(see 'diffraction special details'), only the most strong
unequal reflections were used for the structure refinement.
The number 1398F > 5σ(F) has provided the ratio reflections
to parameters > 6.
The estimated number of unequal reflections is 3300 for the
-42m point group. The number of measured unequal
reflection is 3114F > 1.17σ(F).
The full matrix refinement with anharmonic thermal
displacement (Gram-Charlier expansion up to 5th rang) was performed
for 6 Ta positions up to R = 0.0566 (s = 3.64)
Unusual high maximum of difference electron density (20 e/A3)
is interpreted as additional intercalated Ta atom:
Ta7 - (x, y, z, q, B) = (0.829, 0.329, 0.247, 0.011 (2), 1.0).
Including Ta7 in the refinement leads to decrease
of the maximum difference density to 14.22 e/A3, R to 0.0560 and
s to 3.61. Checking Fourier synthesis F(cal) does not
show additional Ta7 position. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ta1 | 0.5 | 0 | 0.228 (2) | 0.0132 (11) | |
Ta5 | 0.8142 (6) | 0.3142 (6) | 0.0026 (14) | 0.0195 (13) | |
Ta3 | 0.0343 (3) | 0.1267 (4) | 0.2546 (15) | 0.0291 (12) | |
Ta4 | 0.6033 (4) | 0.1033 (4) | 0.764 (2) | 0.0279 (7) | |
Ta2 | 0.7598 (3) | 0.0677 (3) | 0.2350 (12) | 0.0152 (7) | |
Ta6 | 0.3196 (5) | 0.1804 (5) | 0.4912 (12) | 0.0194 (15) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ta1 | 0.0152 (16) | 0.0152 (16) | 0.009 (2) | −0.005 (2) | 0 | 0 |
Ta5 | 0.017 (2) | 0.017 (2) | 0.024 (3) | 0.008 (2) | −0.0067 (15) | −0.0067 (15) |
Ta3 | 0.0202 (17) | 0.0178 (18) | 0.049 (2) | 0.0071 (12) | −0.016 (2) | −0.018 (2) |
Ta4 | 0.0194 (16) | 0.0194 (16) | 0.044735 | 0.0035 (18) | −0.013 (2) | −0.013 (2) |
Ta2 | 0.0145 (12) | 0.0187 (12) | 0.0123 (13) | 0.0024 (8) | 0.0006 (17) | −0.0004 (18) |
Ta6 | 0.018 (2) | 0.018 (2) | 0.021 (3) | −0.002 (2) | 0.0054 (17) | −0.0054 (17) |
Geometric parameters (Å, º) top
Ta1—Ta5i | 2.948 (8) | Ta5—Ta6xvi | 2.687 (10) |
Ta1—Ta5ii | 2.948 (8) | Ta3—Ta3xvii | 3.300 (10) |
Ta1—Ta4iii | 2.876 (14) | Ta3—Ta3xviii | 3.222 (10) |
Ta1—Ta4 | 3.214 (15) | Ta3—Ta3xix | 2.681 (5) |
Ta1—Ta4iv | 2.876 (14) | Ta3—Ta3xx | 3.300 (10) |
Ta1—Ta4v | 3.214 (15) | Ta3—Ta3xxi | 3.222 (10) |
Ta1—Ta2 | 2.742 (3) | Ta3—Ta4xxii | 2.847 (6) |
Ta1—Ta2v | 2.742 (3) | Ta3—Ta2xxiii | 2.868 (5) |
Ta1—Ta2vi | 2.742 (3) | Ta3—Ta2i | 2.865 (9) |
Ta1—Ta2vii | 2.742 (3) | Ta3—Ta2xxii | 2.966 (9) |
Ta1—Ta6 | 2.956 (8) | Ta3—Ta2v | 2.894 (5) |
Ta1—Ta6v | 2.956 (8) | Ta3—Ta6 | 3.220 (7) |
Ta5—Ta3viii | 3.240 (8) | Ta3—Ta6xxiv | 3.241 (7) |
Ta5—Ta3ix | 3.224 (8) | Ta4—Ta4v | 2.982 (6) |
Ta5—Ta3x | 3.224 (8) | Ta4—Ta2 | 3.252 (12) |
Ta5—Ta3xi | 3.240 (8) | Ta4—Ta2xxv | 2.988 (12) |
Ta5—Ta4iii | 3.298 (9) | Ta4—Ta2vii | 3.252 (12) |
Ta5—Ta4xii | 3.310 (9) | Ta4—Ta2xxvi | 2.988 (12) |
Ta5—Ta4xiii | 3.310 (9) | Ta4—Ta6 | 3.332 (9) |
Ta5—Ta2 | 2.858 (7) | Ta4—Ta6xvi | 3.406 (9) |
Ta5—Ta2xiv | 2.977 (7) | Ta4—Ta6v | 3.332 (9) |
Ta5—Ta2xv | 2.977 (7) | Ta2—Ta2vii | 2.775 (5) |
Ta5—Ta2vii | 2.858 (7) | Ta2—Ta6xvi | 3.017 (7) |
Ta5—Ta6ix | 2.622 (10) | Ta2—Ta6v | 2.987 (7) |
| | | |
Ta5i—Ta1—Ta5ii | 131.0 (4) | Ta4xiii—Ta5—Ta2vii | 103.7 (2) |
Ta5i—Ta1—Ta4iii | 69.2 (2) | Ta4xiii—Ta5—Ta6ix | 110.4 (3) |
Ta5i—Ta1—Ta4 | 111.5 (2) | Ta4xiii—Ta5—Ta6xvi | 66.6 (2) |
Ta5i—Ta1—Ta4iv | 69.2 (2) | Ta2—Ta5—Ta2xiv | 97.4 (2) |
Ta5i—Ta1—Ta4v | 111.5 (2) | Ta2—Ta5—Ta2xv | 154.1 (2) |
Ta5i—Ta1—Ta2 | 117.8 (2) | Ta2—Ta5—Ta2vii | 58.09 (16) |
Ta5i—Ta1—Ta2v | 62.96 (16) | Ta2—Ta5—Ta6ix | 117.0 (3) |
Ta5i—Ta1—Ta2vi | 117.8 (2) | Ta2—Ta5—Ta6xvi | 65.8 (2) |
Ta5i—Ta1—Ta2vii | 62.96 (16) | Ta2xiv—Ta5—Ta2 | 97.4 (2) |
Ta5i—Ta1—Ta6 | 52.72 (19) | Ta2xiv—Ta5—Ta2xv | 105.2 (2) |
Ta5i—Ta1—Ta6v | 176.3 (4) | Ta2xiv—Ta5—Ta2vii | 154.1 (2) |
Ta5ii—Ta1—Ta5i | 131.0 (4) | Ta2xiv—Ta5—Ta6ix | 64.1 (2) |
Ta5ii—Ta1—Ta4iii | 69.2 (2) | Ta2xiv—Ta5—Ta6xvi | 114.2 (2) |
Ta5ii—Ta1—Ta4 | 111.5 (2) | Ta2xv—Ta5—Ta2 | 154.1 (2) |
Ta5ii—Ta1—Ta4iv | 69.2 (2) | Ta2xv—Ta5—Ta2xiv | 105.2 (2) |
Ta5ii—Ta1—Ta4v | 111.5 (2) | Ta2xv—Ta5—Ta2vii | 97.4 (2) |
Ta5ii—Ta1—Ta2 | 62.96 (16) | Ta2xv—Ta5—Ta6ix | 64.1 (2) |
Ta5ii—Ta1—Ta2v | 117.8 (2) | Ta2xv—Ta5—Ta6xvi | 114.2 (2) |
Ta5ii—Ta1—Ta2vi | 62.96 (16) | Ta2vii—Ta5—Ta2 | 58.09 (16) |
Ta5ii—Ta1—Ta2vii | 117.8 (2) | Ta2vii—Ta5—Ta2xiv | 154.1 (2) |
Ta5ii—Ta1—Ta6 | 176.3 (4) | Ta2vii—Ta5—Ta2xv | 97.4 (2) |
Ta5ii—Ta1—Ta6v | 52.72 (19) | Ta2vii—Ta5—Ta6ix | 117.0 (3) |
Ta4iii—Ta1—Ta4 | 121.1 (2) | Ta2vii—Ta5—Ta6xvi | 65.8 (2) |
Ta4iii—Ta1—Ta4iv | 62.5 (3) | Ta6ix—Ta5—Ta6xvi | 176.6 (3) |
Ta4iii—Ta1—Ta4v | 176.4 (2) | Ta6xvi—Ta5—Ta6ix | 176.6 (3) |
Ta4iii—Ta1—Ta2 | 64.2 (2) | Ta3xvii—Ta3—Ta3xviii | 108.89 (18) |
Ta4iii—Ta1—Ta2v | 117.3 (3) | Ta3xvii—Ta3—Ta3xix | 66.0 (2) |
Ta4iii—Ta1—Ta2vi | 117.3 (3) | Ta3xvii—Ta3—Ta3xx | 47.93 (16) |
Ta4iii—Ta1—Ta2vii | 64.2 (2) | Ta3xvii—Ta3—Ta3xxi | 131.44 (18) |
Ta4iii—Ta1—Ta6 | 113.9 (2) | Ta3xvii—Ta3—Ta4xxii | 112.5 (3) |
Ta4iii—Ta1—Ta6v | 113.9 (2) | Ta3xvii—Ta3—Ta2xxiii | 98.4 (2) |
Ta4—Ta1—Ta4iii | 121.1 (2) | Ta3xvii—Ta3—Ta2i | 54.91 (18) |
Ta4—Ta1—Ta4iv | 176.4 (2) | Ta3xvii—Ta3—Ta2xxii | 155.40 (19) |
Ta4—Ta1—Ta4v | 55.3 (2) | Ta3xvii—Ta3—Ta2v | 54.62 (19) |
Ta4—Ta1—Ta2 | 65.6 (2) | Ta3xvii—Ta3—Ta6 | 98.34 (18) |
Ta4—Ta1—Ta2v | 112.8 (3) | Ta3xvii—Ta3—Ta6xxiv | 146.8 (2) |
Ta4—Ta1—Ta2vi | 112.8 (3) | Ta3xviii—Ta3—Ta3xvii | 108.89 (18) |
Ta4—Ta1—Ta2vii | 65.6 (2) | Ta3xviii—Ta3—Ta3xix | 65.4 (2) |
Ta4—Ta1—Ta6 | 65.2 (2) | Ta3xviii—Ta3—Ta3xx | 131.44 (18) |
Ta4—Ta1—Ta6v | 65.2 (2) | Ta3xviii—Ta3—Ta3xxi | 49.18 (16) |
Ta4iv—Ta1—Ta4iii | 62.5 (3) | Ta3xviii—Ta3—Ta4xxii | 116.7 (3) |
Ta4iv—Ta1—Ta4 | 176.4 (2) | Ta3xviii—Ta3—Ta2xxiii | 102.0 (2) |
Ta4iv—Ta1—Ta4v | 121.1 (2) | Ta3xviii—Ta3—Ta2i | 154.8 (2) |
Ta4iv—Ta1—Ta2 | 117.3 (3) | Ta3xviii—Ta3—Ta2xxii | 55.05 (18) |
Ta4iv—Ta1—Ta2v | 64.2 (2) | Ta3xviii—Ta3—Ta2v | 57.72 (19) |
Ta4iv—Ta1—Ta2vi | 64.2 (2) | Ta3xviii—Ta3—Ta6 | 60.41 (17) |
Ta4iv—Ta1—Ta2vii | 117.3 (3) | Ta3xviii—Ta3—Ta6xxiv | 99.9 (2) |
Ta4iv—Ta1—Ta6 | 113.9 (2) | Ta3xix—Ta3—Ta3xvii | 66.0 (2) |
Ta4iv—Ta1—Ta6v | 113.9 (2) | Ta3xix—Ta3—Ta3xviii | 65.4 (2) |
Ta4v—Ta1—Ta4iii | 176.4 (2) | Ta3xix—Ta3—Ta3xx | 66.0 (2) |
Ta4v—Ta1—Ta4 | 55.3 (2) | Ta3xix—Ta3—Ta3xxi | 65.4 (2) |
Ta4v—Ta1—Ta4iv | 121.1 (2) | Ta3xix—Ta3—Ta4xxii | 177.8 (4) |
Ta4v—Ta1—Ta2 | 112.8 (3) | Ta3xix—Ta3—Ta2xxiii | 62.75 (14) |
Ta4v—Ta1—Ta2v | 65.6 (2) | Ta3xix—Ta3—Ta2i | 114.9 (3) |
Ta4v—Ta1—Ta2vi | 65.6 (2) | Ta3xix—Ta3—Ta2xxii | 114.0 (3) |
Ta4v—Ta1—Ta2vii | 112.8 (3) | Ta3xix—Ta3—Ta2v | 61.79 (14) |
Ta4v—Ta1—Ta6 | 65.2 (2) | Ta3xix—Ta3—Ta6 | 113.6 (2) |
Ta4v—Ta1—Ta6v | 65.2 (2) | Ta3xix—Ta3—Ta6xxiv | 114.2 (2) |
Ta2—Ta1—Ta2v | 178.4 (5) | Ta3xx—Ta3—Ta3xvii | 47.93 (16) |
Ta2—Ta1—Ta2vi | 119.18 (11) | Ta3xx—Ta3—Ta3xviii | 131.44 (18) |
Ta2—Ta1—Ta2vii | 60.80 (11) | Ta3xx—Ta3—Ta3xix | 66.0 (2) |
Ta2—Ta1—Ta6 | 116.0 (2) | Ta3xx—Ta3—Ta3xxi | 108.89 (18) |
Ta2—Ta1—Ta6v | 63.10 (16) | Ta3xx—Ta3—Ta4xxii | 111.8 (3) |
Ta2v—Ta1—Ta2 | 178.4 (5) | Ta3xx—Ta3—Ta2xxiii | 54.80 (19) |
Ta2v—Ta1—Ta2vi | 60.80 (11) | Ta3xx—Ta3—Ta2i | 55.44 (19) |
Ta2v—Ta1—Ta2vii | 119.18 (11) | Ta3xx—Ta3—Ta2xxii | 156.45 (19) |
Ta2v—Ta1—Ta6 | 63.10 (16) | Ta3xx—Ta3—Ta2v | 97.8 (2) |
Ta2v—Ta1—Ta6v | 116.0 (2) | Ta3xx—Ta3—Ta6 | 145.0 (2) |
Ta2vi—Ta1—Ta2 | 119.18 (11) | Ta3xx—Ta3—Ta6xxiv | 100.24 (18) |
Ta2vi—Ta1—Ta2v | 60.80 (11) | Ta3xxi—Ta3—Ta3xvii | 131.44 (18) |
Ta2vi—Ta1—Ta2vii | 178.4 (5) | Ta3xxi—Ta3—Ta3xviii | 49.18 (16) |
Ta2vi—Ta1—Ta6 | 116.0 (2) | Ta3xxi—Ta3—Ta3xix | 65.4 (2) |
Ta2vi—Ta1—Ta6v | 63.10 (16) | Ta3xxi—Ta3—Ta3xx | 108.89 (18) |
Ta2vii—Ta1—Ta2 | 60.80 (11) | Ta3xxi—Ta3—Ta4xxii | 116.0 (3) |
Ta2vii—Ta1—Ta2v | 119.18 (11) | Ta3xxi—Ta3—Ta2xxiii | 57.93 (19) |
Ta2vii—Ta1—Ta2vi | 178.4 (5) | Ta3xxi—Ta3—Ta2i | 155.9 (2) |
Ta2vii—Ta1—Ta6 | 63.10 (16) | Ta3xxi—Ta3—Ta2xxii | 55.58 (19) |
Ta2vii—Ta1—Ta6v | 116.0 (2) | Ta3xxi—Ta3—Ta2v | 101.5 (2) |
Ta6—Ta1—Ta6v | 123.5 (4) | Ta3xxi—Ta3—Ta6 | 101.3 (2) |
Ta6v—Ta1—Ta6 | 123.5 (4) | Ta3xxi—Ta3—Ta6xxiv | 59.77 (17) |
Ta3viii—Ta5—Ta3ix | 154.1 (2) | Ta4xxii—Ta3—Ta2xxiii | 116.37 (18) |
Ta3viii—Ta5—Ta3x | 61.4 (2) | Ta4xxii—Ta3—Ta2i | 63.1 (3) |
Ta3viii—Ta5—Ta3xi | 130.5 (3) | Ta4xxii—Ta3—Ta2xxii | 68.0 (3) |
Ta3viii—Ta5—Ta4iii | 103.0 (2) | Ta4xxii—Ta3—Ta2v | 118.89 (18) |
Ta3viii—Ta5—Ta4xii | 51.52 (15) | Ta4xxii—Ta3—Ta6 | 68.0 (2) |
Ta3viii—Ta5—Ta4xiii | 101.3 (2) | Ta4xxii—Ta3—Ta6xxiv | 66.0 (2) |
Ta3viii—Ta5—Ta2 | 55.69 (15) | Ta2xxiii—Ta3—Ta2i | 99.7 (2) |
Ta3viii—Ta5—Ta2xiv | 54.7 (2) | Ta2xxiii—Ta3—Ta2xxii | 103.2 (2) |
Ta3viii—Ta5—Ta2xv | 149.8 (2) | Ta2xxiii—Ta3—Ta2v | 124.36 (18) |
Ta3viii—Ta5—Ta2vii | 108.5 (2) | Ta2xxiii—Ta3—Ta6 | 159.1 (3) |
Ta3viii—Ta5—Ta6ix | 114.2 (2) | Ta2xxiii—Ta3—Ta6xxiv | 58.81 (16) |
Ta3viii—Ta5—Ta6xvi | 65.5 (2) | Ta2i—Ta3—Ta2xxiii | 99.7 (2) |
Ta3ix—Ta5—Ta3viii | 154.1 (2) | Ta2i—Ta3—Ta2xxii | 131.03 (19) |
Ta3ix—Ta5—Ta3x | 98.8 (2) | Ta2i—Ta3—Ta2v | 99.1 (2) |
Ta3ix—Ta5—Ta3xi | 61.4 (2) | Ta2i—Ta3—Ta6 | 100.2 (2) |
Ta3ix—Ta5—Ta4iii | 51.75 (16) | Ta2i—Ta3—Ta6xxiv | 102.3 (2) |
Ta3ix—Ta5—Ta4xii | 154.3 (2) | Ta2xxii—Ta3—Ta2xxiii | 103.2 (2) |
Ta3ix—Ta5—Ta4xiii | 102.5 (2) | Ta2xxii—Ta3—Ta2i | 131.03 (19) |
Ta3ix—Ta5—Ta2 | 100.1 (2) | Ta2xxii—Ta3—Ta2v | 102.5 (2) |
Ta3ix—Ta5—Ta2xiv | 129.7 (3) | Ta2xxii—Ta3—Ta6 | 58.21 (18) |
Ta3ix—Ta5—Ta2xv | 55.46 (15) | Ta2xxii—Ta3—Ta6xxiv | 57.33 (17) |
Ta3ix—Ta5—Ta2vii | 55.8 (2) | Ta2v—Ta3—Ta2xxiii | 124.36 (18) |
Ta3ix—Ta5—Ta6ix | 65.9 (2) | Ta2v—Ta3—Ta2i | 99.1 (2) |
Ta3ix—Ta5—Ta6xvi | 115.9 (2) | Ta2v—Ta3—Ta2xxii | 102.5 (2) |
Ta3x—Ta5—Ta3viii | 61.4 (2) | Ta2v—Ta3—Ta6 | 58.20 (16) |
Ta3x—Ta5—Ta3ix | 98.8 (2) | Ta2v—Ta3—Ta6xxiv | 157.4 (3) |
Ta3x—Ta5—Ta3xi | 154.1 (2) | Ta6—Ta3—Ta6xxiv | 110.3 (2) |
Ta3x—Ta5—Ta4iii | 51.75 (16) | Ta6xxiv—Ta3—Ta6 | 110.3 (2) |
Ta3x—Ta5—Ta4xii | 102.5 (2) | Ta4v—Ta4—Ta2 | 105.6 (3) |
Ta3x—Ta5—Ta4xiii | 154.3 (2) | Ta4v—Ta4—Ta2xxv | 107.0 (3) |
Ta3x—Ta5—Ta2 | 55.8 (2) | Ta4v—Ta4—Ta2vii | 105.6 (3) |
Ta3x—Ta5—Ta2xiv | 55.46 (15) | Ta4v—Ta4—Ta2xxvi | 107.0 (3) |
Ta3x—Ta5—Ta2xv | 129.7 (3) | Ta4v—Ta4—Ta6 | 63.4 (2) |
Ta3x—Ta5—Ta2vii | 100.1 (2) | Ta4v—Ta4—Ta6xvi | 156.5 (5) |
Ta3x—Ta5—Ta6ix | 65.9 (2) | Ta4v—Ta4—Ta6v | 63.4 (2) |
Ta3x—Ta5—Ta6xvi | 115.9 (2) | Ta2—Ta4—Ta2xxv | 116.45 (19) |
Ta3xi—Ta5—Ta3viii | 130.5 (3) | Ta2—Ta4—Ta2vii | 50.5 (2) |
Ta3xi—Ta5—Ta3ix | 61.4 (2) | Ta2—Ta4—Ta2xxvi | 147.3 (2) |
Ta3xi—Ta5—Ta3x | 154.1 (2) | Ta2—Ta4—Ta6 | 94.5 (3) |
Ta3xi—Ta5—Ta4iii | 103.0 (2) | Ta2—Ta4—Ta6xvi | 53.8 (2) |
Ta3xi—Ta5—Ta4xii | 101.3 (2) | Ta2—Ta4—Ta6v | 53.9 (2) |
Ta3xi—Ta5—Ta4xiii | 51.52 (15) | Ta2xxv—Ta4—Ta2 | 116.45 (19) |
Ta3xi—Ta5—Ta2 | 108.5 (2) | Ta2xxv—Ta4—Ta2vii | 147.3 (2) |
Ta3xi—Ta5—Ta2xiv | 149.8 (2) | Ta2xxv—Ta4—Ta2xxvi | 55.3 (2) |
Ta3xi—Ta5—Ta2xv | 54.7 (2) | Ta2xxv—Ta4—Ta6 | 149.0 (3) |
Ta3xi—Ta5—Ta2vii | 55.69 (15) | Ta2xxv—Ta4—Ta6xvi | 93.7 (2) |
Ta3xi—Ta5—Ta6ix | 114.2 (2) | Ta2xxv—Ta4—Ta6v | 97.5 (2) |
Ta3xi—Ta5—Ta6xvi | 65.5 (2) | Ta2vii—Ta4—Ta2 | 50.5 (2) |
Ta4iii—Ta5—Ta4xii | 153.1 (2) | Ta2vii—Ta4—Ta2xxv | 147.3 (2) |
Ta4iii—Ta5—Ta4xiii | 153.1 (2) | Ta2vii—Ta4—Ta2xxvi | 116.45 (19) |
Ta4iii—Ta5—Ta2 | 57.5 (2) | Ta2vii—Ta4—Ta6 | 53.9 (2) |
Ta4iii—Ta5—Ta2xiv | 103.9 (2) | Ta2vii—Ta4—Ta6xvi | 53.8 (2) |
Ta4iii—Ta5—Ta2xv | 103.9 (2) | Ta2vii—Ta4—Ta6v | 94.5 (3) |
Ta4iii—Ta5—Ta2vii | 57.5 (2) | Ta2xxvi—Ta4—Ta2 | 147.3 (2) |
Ta4iii—Ta5—Ta6ix | 69.2 (2) | Ta2xxvi—Ta4—Ta2xxv | 55.3 (2) |
Ta4iii—Ta5—Ta6xvi | 114.2 (3) | Ta2xxvi—Ta4—Ta2vii | 116.45 (19) |
Ta4xii—Ta5—Ta4iii | 153.1 (2) | Ta2xxvi—Ta4—Ta6 | 97.5 (2) |
Ta4xii—Ta5—Ta4xiii | 53.55 (16) | Ta2xxvi—Ta4—Ta6xvi | 93.7 (2) |
Ta4xii—Ta5—Ta2 | 103.7 (2) | Ta2xxvi—Ta4—Ta6v | 149.0 (3) |
Ta4xii—Ta5—Ta2xiv | 56.5 (2) | Ta6—Ta4—Ta6xvi | 103.7 (2) |
Ta4xii—Ta5—Ta2xv | 99.4 (2) | Ta6—Ta4—Ta6v | 102.8 (3) |
Ta4xii—Ta5—Ta2vii | 132.4 (3) | Ta6xvi—Ta4—Ta6 | 103.7 (2) |
Ta4xii—Ta5—Ta6ix | 110.4 (3) | Ta6xvi—Ta4—Ta6v | 103.7 (2) |
Ta4xii—Ta5—Ta6xvi | 66.6 (2) | Ta6v—Ta4—Ta6 | 102.8 (3) |
Ta4xiii—Ta5—Ta4iii | 153.1 (2) | Ta6v—Ta4—Ta6xvi | 103.7 (2) |
Ta4xiii—Ta5—Ta4xii | 53.55 (16) | Ta2vii—Ta2—Ta6xvi | 62.63 (17) |
Ta4xiii—Ta5—Ta2 | 132.4 (3) | Ta2vii—Ta2—Ta6v | 114.1 (2) |
Ta4xiii—Ta5—Ta2xiv | 99.4 (2) | Ta6xvi—Ta2—Ta6v | 124.0 (2) |
Ta4xiii—Ta5—Ta2xv | 56.5 (2) | Ta6v—Ta2—Ta6xvi | 124.0 (2) |
Symmetry codes: (i) y, −x+1, −z; (ii) −y+1, x−1, −z; (iii) x, y, z−1; (iv) −x+1, −y, z−1; (v) −x+1, −y, z; (vi) −y+1/2, −x+1/2, z; (vii) y+1/2, x−1/2, z; (viii) x+1, y, z; (ix) x+1/2, −y+1/2, −z; (x) −y+1, x, −z; (xi) y+1/2, x+1/2, z; (xii) y+1, −x+1, −z+1; (xiii) −y+1, x, −z+1; (xiv) y+1, −x+1, −z; (xv) −x+3/2, y+1/2, −z; (xvi) x+1/2, −y+1/2, −z+1; (xvii) y, −x, −z; (xviii) y, −x, −z+1; (xix) −x, −y, z; (xx) −y, x, −z; (xxi) −y, x, −z+1; (xxii) y, −x+1, −z+1; (xxiii) x−1, y, z; (xxiv) x−1/2, −y+1/2, −z+1; (xxv) x, y, z+1; (xxvi) y+1/2, x−1/2, z+1. |
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