Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768108032631/ck5034sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108032631/ck5034Isup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108032631/ck5034IIsup3.hkl |
Program(s) used to solve structure: SHELXL97 (Sheldrick, 1990) for (I); SHELXS97 (Sheldrick, 1997) for (II). For both compounds, program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ATOMS 6.2.
(Ba·Sr)4Ti6Si4O24(H2O) | Dx = 4.408 Mg m−3 |
Mr = 1351.14 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, Cmmm | Cell parameters from 1411 reflections |
a = 5.906 (2) Å | θ = 1.2–27.9° |
b = 20.618 (8) Å | µ = 10.18 mm−1 |
c = 16.719 (6) Å | T = 293 K |
V = 2035.9 (13) Å3 | Prismatic, opaque grey |
Z = 4 | 0.13 × 0.01 × 0.01 mm |
F(000) = 2456 |
Bruker-AXS Smart Apex diffractometer | 1411 independent reflections |
Radiation source: fine-focus sealed tube | 692 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.339 |
phi/ω scans | θmax = 27.9°, θmin = 1.2° |
Absorption correction: multi-scan Bruker SADABS | h = −7→7 |
Tmin = 0.363, Tmax = 0.905 | k = −26→26 |
10044 measured reflections | l = −21→21 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.089 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.239 | w = 1/[σ2(Fo2) + (0.0966P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.04 | (Δ/σ)max < 0.001 |
1411 reflections | Δρmax = 3.70 e Å−3 |
96 parameters | Δρmin = −4.12 e Å−3 |
0 restraints | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0015 (2) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ba1 | 0.0000 | 0.09937 (9) | 0.12451 (13) | 0.0129 (6) | |
Ba2 | 0.2426 (4) | 0.15065 (17) | 0.3758 (2) | 0.0241 (8) | 0.50 |
Ti1 | 0.2500 | 0.2500 | 0.0000 | 0.008 (2) | |
Ti2 | 0.5000 | 0.0000 | 0.5000 | 0.010 (3) | |
Ti3 | 0.0000 | 0.0000 | 0.5000 | 0.013 (3) | |
Ti4 | 0.0000 | 0.2601 (3) | −0.1978 (4) | 0.0138 (15) | |
Ti5 | 0.7571 (12) | 0.0000 | 0.3017 (5) | 0.033 (3) | |
Si1 | 0.252 (3) | −0.1380 (9) | 0.5000 | 0.014 (4)* | 0.50 |
Si2 | −0.2500 | 0.2500 | −0.3676 (11) | 0.014 (4)* | 0.50 |
Si3 | 0.5000 | 0.0000 | 0.1336 (6) | 0.002 (2)* | |
Si4 | 0.5000 | 0.1113 (5) | 0.0000 | 0.006 (2)* | |
O1 | 0.5000 | 0.0638 (11) | 0.0769 (13) | 0.011 (5)* | |
O2 | 0.0000 | 0.2444 (10) | −0.0780 (16) | 0.008 (6)* | |
O3 | 0.5000 | 0.0633 (15) | 0.3053 (16) | 0.019 (6) | |
O4 | 0.0000 | 0.2525 (10) | −0.317 (2) | 0.018 (8)* | |
O5 | 1.0000 | −0.0622 (11) | 0.2971 (14) | 0.009 (5)* | |
O6 | 0.0000 | −0.099 (2) | 0.5000 | 0.018 (8) | |
O7 | 0.5000 | −0.0969 (19) | 0.5000 | 0.015 (7) | |
O8 | 0.753 (3) | 0.0000 | 0.4225 (17) | 0.015 (8) | |
O9 | 0.250 (2) | 0.1875 (11) | −0.1991 (13) | 0.013 (5)* | |
O10 | 0.734 (3) | 0.0000 | 0.1803 (16) | 0.006 (6)* | |
O11 | 0.273 (4) | 0.1537 (14) | 0.0000 | 0.008 (5)* | |
O12 | 0.246 (5) | 0.1849 (16) | 0.424 (2) | 0.015 (7)* | 0.50 |
OW1 | 0.0000 | 0.0000 | 0.0000 | 0.053 (19)* | |
OW2 | 0.2500 | 0.2500 | 0.5000 | 0.014 (13)* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ba1 | 0.0090 (9) | 0.0156 (10) | 0.0141 (9) | 0.000 | 0.000 | −0.0006 (8) |
Ba2 | 0.0121 (15) | 0.0314 (17) | 0.0288 (15) | −0.0009 (10) | −0.0022 (12) | 0.0035 (15) |
Ti1 | 0.005 (7) | 0.008 (5) | 0.010 (5) | 0.001 (2) | 0.000 | 0.000 |
Ti2 | 0.005 (7) | 0.019 (7) | 0.006 (5) | 0.000 | 0.000 | 0.000 |
Ti3 | 0.009 (8) | 0.018 (7) | 0.011 (6) | 0.000 | 0.000 | 0.000 |
Ti4 | 0.017 (4) | 0.017 (3) | 0.008 (3) | 0.000 | 0.000 | 0.000 (2) |
Ti5 | 0.024 (5) | 0.070 (7) | 0.004 (3) | 0.000 | −0.001 (2) | 0.000 |
O3 | 0.005 (10) | 0.035 (14) | 0.016 (11) | 0.000 | 0.000 | 0.004 (9) |
O6 | 0.015 (16) | 0.023 (16) | 0.016 (15) | 0.000 | 0.000 | 0.000 |
O7 | 0.009 (15) | 0.020 (15) | 0.016 (14) | 0.000 | 0.000 | 0.000 |
O8 | 0.008 (12) | 0.029 (14) | 0.008 (10) | 0.000 | −0.004 (7) | 0.000 |
Ba1—O9i | 2.65 (2) | Si1—O12vii | 1.60 (3) |
Ba1—O9ii | 2.654 (19) | Si1—O7 | 1.69 (2) |
Ba1—O10iii | 2.744 (14) | Si1—O6 | 1.69 (3) |
Ba1—O10iv | 2.744 (14) | Si1—Ba2xvii | 2.094 (4) |
Ba1—O11v | 2.860 (16) | Si1—Ba2vii | 2.094 (4) |
Ba1—O11 | 2.860 (16) | Si1—OW2vii | 2.310 (18) |
Ba1—OW1 | 2.921 (2) | Si1—Ba2xix | 3.594 (13) |
Ba1—O5iv | 2.99 (2) | Si1—Ba2ix | 3.594 (13) |
Ba1—O2i | 3.09 (2) | Si1—Ba2iv | 3.645 (14) |
Ba1—O1iii | 3.145 (8) | Si1—Ba2x | 3.645 (14) |
Ba1—O1 | 3.145 (8) | Si2—O12xiii | 1.64 (3) |
Ba1—Ti4i | 3.534 (7) | Si2—O12ii | 1.64 (3) |
Ba2—O12 | 1.07 (3) | Si2—O4 | 1.706 (19) |
Ba2—Si2vi | 2.053 (4) | Si2—O4xxii | 1.706 (19) |
Ba2—Si1vii | 2.094 (4) | Si2—Ba2xiii | 2.053 (4) |
Ba2—O3 | 2.63 (2) | Si2—Ba2ii | 2.053 (4) |
Ba2—O5iv | 2.67 (2) | Si2—OW2xiii | 2.214 (19) |
Ba2—O4viii | 2.70 (2) | Si2—Ba2xxiv | 3.561 (3) |
Ba2—O4i | 2.73 (2) | Si2—Ba2i | 3.561 (3) |
Ba2—O6ix | 2.738 (16) | Si2—Ba2viii | 3.632 (3) |
Ba2—O7x | 2.802 (16) | Si2—Ba2xxv | 3.633 (3) |
Ba2—Ba2v | 2.865 (5) | Si3—O10 | 1.59 (2) |
Ba2—OW2 | 2.917 (4) | Si3—O10iv | 1.59 (2) |
Ba2—Ba2xi | 3.041 (5) | Si3—O1 | 1.62 (2) |
Ti1—O2viii | 1.973 (18) | Si3—O1iv | 1.62 (2) |
Ti1—O2 | 1.973 (18) | Si3—Ba1xv | 3.5973 (15) |
Ti1—O2xii | 1.973 (18) | Si3—Ba1xix | 3.5973 (15) |
Ti1—O2i | 1.973 (18) | Si3—Ba1iv | 3.5973 (15) |
Ti1—O11viii | 1.99 (3) | Si4—O11xi | 1.60 (3) |
Ti1—O11 | 1.99 (3) | Si4—O11 | 1.60 (3) |
Ti1—Ti1vi | 2.9530 (10) | Si4—O1i | 1.62 (2) |
Ti1—Ti1xiii | 2.9530 (10) | Si4—O1 | 1.62 (2) |
Ti1—Ba1xii | 4.020 (2) | Si4—Ba1i | 3.6214 (17) |
Ti1—Ba1viii | 4.020 (2) | Si4—Ba1xv | 3.6214 (17) |
Ti1—Ba1i | 4.020 (2) | Si4—Ba1xxvi | 3.6214 (17) |
Ti2—O8xiv | 1.98 (2) | O1—Ba1xv | 3.145 (8) |
Ti2—O8iv | 1.98 (2) | O2—Ti1xiii | 1.973 (18) |
Ti2—O8x | 1.98 (2) | O2—Ba1i | 3.09 (2) |
Ti2—O8 | 1.98 (2) | O3—Ti5iv | 2.00 (2) |
Ti2—O7x | 2.00 (4) | O3—Ba2xi | 2.63 (2) |
Ti2—O7 | 2.00 (4) | O4—Si2v | 1.706 (19) |
Ti2—Ti3 | 2.9530 (10) | O4—Ba2viii | 2.70 (2) |
Ti2—Ti3xv | 2.9530 (10) | O4—Ba2xiii | 2.70 (2) |
Ti2—Ba2xvi | 4.034 (4) | O4—Ba2ii | 2.73 (2) |
Ti2—Ba2xi | 4.034 (4) | O4—Ba2i | 2.73 (2) |
Ti2—Ba2xvii | 4.034 (4) | O5—Ti5xxiii | 1.925 (16) |
Ti2—Ba2xiv | 4.034 (3) | O5—Ba2iv | 2.67 (2) |
Ti3—O8x | 1.95 (2) | O5—Ba2xxvii | 2.67 (2) |
Ti3—O8iii | 1.95 (2) | O5—Ba1iv | 2.99 (2) |
Ti3—O8iv | 1.95 (2) | O6—Si1v | 1.69 (3) |
Ti3—O8xviii | 1.95 (2) | O6—Ba2xix | 2.738 (16) |
Ti3—O6ix | 2.04 (4) | O6—Ba2xvii | 2.738 (16) |
Ti3—O6 | 2.04 (4) | O6—Ba2vii | 2.738 (16) |
Ti3—Ti2iii | 2.9530 (10) | O6—Ba2ix | 2.738 (16) |
Ti3—Ba2xiv | 4.002 (4) | O7—Si1xi | 1.69 (2) |
Ti3—Ba2v | 4.002 (3) | O7—Ba2xvii | 2.802 (16) |
Ti3—Ba2xix | 4.002 (4) | O7—Ba2iv | 2.802 (16) |
Ti3—Ba2xx | 4.002 (3) | O7—Ba2x | 2.802 (16) |
Ti4—O9xii | 1.828 (18) | O7—Ba2vii | 2.802 (16) |
Ti4—O9xxi | 1.828 (18) | O8—Ti3xv | 1.95 (2) |
Ti4—O4 | 1.99 (3) | O8—Ba2xi | 3.203 (8) |
Ti4—O2 | 2.03 (3) | O8—Ba2iv | 3.203 (8) |
Ti4—O9v | 2.103 (19) | O9—Ti4xii | 1.828 (18) |
Ti4—O9 | 2.103 (19) | O9—Ba1i | 2.654 (19) |
Ti4—Ti4xxii | 2.982 (2) | O9—Ba2i | 3.05 (2) |
Ti4—Ti4xii | 2.982 (2) | O10—Ba1xv | 2.744 (14) |
Ti4—Ba1i | 3.534 (7) | O10—Ba1iv | 2.744 (14) |
Ti4—Ba2xiii | 3.814 (7) | O11—Ba1i | 2.860 (16) |
Ti4—Ba2viii | 3.814 (7) | O12—Si1vii | 1.60 (3) |
Ti4—Ba2ii | 4.000 (7) | O12—Si2vi | 1.64 (3) |
Ti5—O5xxiii | 1.925 (16) | O12—Ba2v | 3.08 (3) |
Ti5—O5 | 1.925 (16) | O12—Ba2xi | 3.20 (3) |
Ti5—O3 | 2.00 (2) | OW1—Ba1i | 2.921 (2) |
Ti5—O3iv | 2.00 (2) | OW1—Ba1xxviii | 2.921 (2) |
Ti5—O8 | 2.02 (3) | OW1—Ba1xix | 2.921 (2) |
Ti5—O10 | 2.03 (3) | OW2—Si2vi | 2.214 (19) |
Ti5—Ti5xxiii | 2.869 (14) | OW2—Si2xxix | 2.214 (19) |
Ti5—Ti5iv | 3.037 (14) | OW2—Si1xxx | 2.310 (18) |
Ti5—Ba2xi | 3.344 (5) | OW2—Si1vii | 2.310 (18) |
Ti5—Ba2iv | 3.344 (5) | OW2—Ba2xii | 2.917 (4) |
Ti5—Ba1xv | 3.877 (7) | OW2—Ba2xxxi | 2.917 (4) |
Ti5—Ba1iv | 3.877 (7) | OW2—Ba2xiv | 2.917 (4) |
Si1—O12xvii | 1.60 (3) | ||
O9i—Ba1—O9ii | 67.6 (7) | O5xxiii—Ti5—O5 | 83.5 (11) |
O9i—Ba1—O10iii | 132.1 (7) | O5xxiii—Ti5—O3 | 97.6 (10) |
O9ii—Ba1—O10iii | 91.9 (6) | O5—Ti5—O3 | 178.8 (9) |
O9i—Ba1—O10iv | 91.9 (6) | O5xxiii—Ti5—O3iv | 178.8 (9) |
O9ii—Ba1—O10iv | 132.1 (7) | O5—Ti5—O3iv | 97.6 (10) |
O10iii—Ba1—O10iv | 69.8 (7) | O3—Ti5—O3iv | 81.3 (13) |
O9i—Ba1—O11v | 112.8 (7) | O5xxiii—Ti5—O8 | 92.8 (9) |
O9ii—Ba1—O11v | 76.1 (6) | O5—Ti5—O8 | 92.8 (9) |
O10iii—Ba1—O11v | 102.6 (7) | O3—Ti5—O8 | 87.8 (9) |
O10iv—Ba1—O11v | 149.5 (7) | O3iv—Ti5—O8 | 87.8 (9) |
O9i—Ba1—O11 | 76.1 (6) | O5xxiii—Ti5—O10 | 90.6 (8) |
O9ii—Ba1—O11 | 112.8 (7) | O5—Ti5—O10 | 90.6 (8) |
O10iii—Ba1—O11 | 149.5 (7) | O3—Ti5—O10 | 88.8 (9) |
O10iv—Ba1—O11 | 102.6 (7) | O3iv—Ti5—O10 | 88.8 (10) |
O11v—Ba1—O11 | 68.5 (8) | O8—Ti5—O10 | 175.5 (9) |
O9i—Ba1—OW1 | 144.6 (4) | O5xxiii—Ti5—Ti5xxiii | 41.8 (5) |
O9ii—Ba1—OW1 | 144.6 (4) | O5—Ti5—Ti5xxiii | 41.8 (5) |
O10iii—Ba1—OW1 | 73.6 (5) | O3—Ti5—Ti5xxiii | 139.3 (7) |
O10iv—Ba1—OW1 | 73.6 (5) | O3iv—Ti5—Ti5xxiii | 139.3 (7) |
O11v—Ba1—OW1 | 75.9 (5) | O8—Ti5—Ti5xxiii | 90.7 (6) |
O11—Ba1—OW1 | 75.9 (5) | O10—Ti5—Ti5xxiii | 93.8 (6) |
O9i—Ba1—O5iv | 73.9 (6) | O5xxiii—Ti5—Ti5iv | 138.2 (5) |
O9ii—Ba1—O5iv | 73.9 (6) | O5—Ti5—Ti5iv | 138.2 (5) |
O10iii—Ba1—O5iv | 58.7 (7) | O3—Ti5—Ti5iv | 40.7 (7) |
O10iv—Ba1—O5iv | 58.7 (7) | O3iv—Ti5—Ti5iv | 40.7 (7) |
O11v—Ba1—O5iv | 143.5 (4) | O8—Ti5—Ti5iv | 89.3 (6) |
O11—Ba1—O5iv | 143.5 (4) | O10—Ti5—Ti5iv | 86.2 (6) |
OW1—Ba1—O5iv | 120.6 (4) | Ti5xxiii—Ti5—Ti5iv | 180.000 (1) |
O9i—Ba1—O2i | 57.0 (6) | O5xxiii—Ti5—Ba2xi | 52.8 (6) |
O9ii—Ba1—O2i | 57.0 (6) | O5—Ti5—Ba2xi | 129.3 (6) |
O10iii—Ba1—O2i | 143.9 (3) | O3—Ti5—Ba2xi | 52.0 (7) |
O10iv—Ba1—O2i | 143.9 (3) | O3iv—Ti5—Ba2xi | 126.5 (7) |
O11v—Ba1—O2i | 55.8 (7) | O8—Ti5—Ba2xi | 68.26 (14) |
O11—Ba1—O2i | 55.8 (7) | O10—Ti5—Ba2xi | 111.69 (14) |
OW1—Ba1—O2i | 120.0 (5) | Ti5xxiii—Ti5—Ba2xi | 89.97 (13) |
O5iv—Ba1—O2i | 119.5 (7) | Ti5iv—Ti5—Ba2xi | 90.03 (12) |
O9i—Ba1—O1iii | 143.2 (5) | O5xxiii—Ti5—Ba2iv | 129.3 (6) |
O9ii—Ba1—O1iii | 75.9 (5) | O5—Ti5—Ba2iv | 52.8 (6) |
O10iii—Ba1—O1iii | 51.3 (6) | O3—Ti5—Ba2iv | 126.5 (7) |
O10iv—Ba1—O1iii | 116.7 (5) | O3iv—Ti5—Ba2iv | 52.0 (7) |
O11v—Ba1—O1iii | 51.6 (6) | O8—Ti5—Ba2iv | 68.26 (14) |
O11—Ba1—O1iii | 115.8 (5) | O10—Ti5—Ba2iv | 111.69 (14) |
OW1—Ba1—O1iii | 69.9 (4) | Ti5xxiii—Ti5—Ba2iv | 89.97 (13) |
O5iv—Ba1—O1iii | 100.6 (4) | Ti5iv—Ti5—Ba2iv | 90.03 (13) |
O2i—Ba1—O1iii | 99.3 (4) | Ba2xi—Ti5—Ba2iv | 136.5 (3) |
O9i—Ba1—O1 | 75.9 (5) | O5xxiii—Ti5—Ba1xv | 48.8 (7) |
O9ii—Ba1—O1 | 143.2 (5) | O5—Ti5—Ba1xv | 92.6 (7) |
O10iii—Ba1—O1 | 116.7 (5) | O3—Ti5—Ba1xv | 87.7 (7) |
O10iv—Ba1—O1 | 51.3 (6) | O3iv—Ti5—Ba1xv | 130.4 (8) |
O11v—Ba1—O1 | 115.8 (5) | O8—Ti5—Ba1xv | 140.2 (4) |
O11—Ba1—O1 | 51.6 (6) | O10—Ti5—Ba1xv | 42.5 (4) |
OW1—Ba1—O1 | 69.9 (4) | Ti5xxiii—Ti5—Ba1xv | 68.28 (10) |
O5iv—Ba1—O1 | 100.6 (4) | Ti5iv—Ti5—Ba1xv | 111.72 (10) |
O2i—Ba1—O1 | 99.3 (4) | Ba2xi—Ti5—Ba1xv | 77.99 (9) |
O1iii—Ba1—O1 | 139.8 (8) | Ba2iv—Ti5—Ba1xv | 140.7 (2) |
O9i—Ba1—Ti4i | 36.3 (4) | O5xxiii—Ti5—Ba1iv | 92.6 (7) |
O9ii—Ba1—Ti4i | 36.3 (4) | O5—Ti5—Ba1iv | 48.8 (7) |
O10iii—Ba1—Ti4i | 125.6 (4) | O3—Ti5—Ba1iv | 130.4 (8) |
O10iv—Ba1—Ti4i | 125.6 (4) | O3iv—Ti5—Ba1iv | 87.7 (7) |
O11v—Ba1—Ti4i | 83.4 (5) | O8—Ti5—Ba1iv | 140.2 (4) |
O11—Ba1—Ti4i | 83.4 (5) | O10—Ti5—Ba1iv | 42.5 (4) |
OW1—Ba1—Ti4i | 154.84 (13) | Ti5xxiii—Ti5—Ba1iv | 68.28 (10) |
O5iv—Ba1—Ti4i | 84.6 (5) | Ti5iv—Ti5—Ba1iv | 111.72 (10) |
O2i—Ba1—Ti4i | 34.9 (5) | Ba2xi—Ti5—Ba1iv | 140.7 (2) |
O1iii—Ba1—Ti4i | 107.8 (4) | Ba2iv—Ti5—Ba1iv | 77.99 (9) |
O1—Ba1—Ti4i | 107.8 (4) | Ba1xv—Ti5—Ba1iv | 63.80 (14) |
O12—Ba2—Si2vi | 52.5 (19) | O12xvii—Si1—O12vii | 105 (3) |
O12—Ba2—Si1vii | 48.5 (19) | O12xvii—Si1—O7 | 108.8 (14) |
Si2vi—Ba2—Si1vii | 101.0 (7) | O12vii—Si1—O7 | 108.8 (14) |
O12—Ba2—O3 | 140.8 (16) | O12xvii—Si1—O6 | 105.6 (14) |
Si2vi—Ba2—O3 | 129.8 (6) | O12vii—Si1—O6 | 105.6 (14) |
Si1vii—Ba2—O3 | 110.0 (7) | O7—Si1—O6 | 122 (2) |
O12—Ba2—O5iv | 146.4 (16) | O12xvii—Si1—Ba2xvii | 30.1 (12) |
Si2vi—Ba2—O5iv | 131.4 (6) | O12vii—Si1—Ba2xvii | 135.5 (16) |
Si1vii—Ba2—O5iv | 114.7 (7) | O7—Si1—Ba2xvii | 94.9 (5) |
O3—Ba2—O5iv | 67.8 (6) | O6—Si1—Ba2xvii | 92.0 (5) |
O12—Ba2—O4viii | 77.0 (18) | O12xvii—Si1—Ba2vii | 135.5 (16) |
Si2vi—Ba2—O4viii | 39.2 (5) | O12vii—Si1—Ba2vii | 30.1 (12) |
Si1vii—Ba2—O4viii | 116.2 (8) | O7—Si1—Ba2vii | 94.9 (5) |
O3—Ba2—O4viii | 91.0 (7) | O6—Si1—Ba2vii | 92.0 (5) |
O5iv—Ba2—O4viii | 128.9 (8) | Ba2xvii—Si1—Ba2vii | 165.3 (10) |
O12—Ba2—O4i | 77.0 (18) | O12xvii—Si1—OW2vii | 52.7 (13) |
Si2vi—Ba2—O4i | 38.7 (5) | O12vii—Si1—OW2vii | 52.7 (13) |
Si1vii—Ba2—O4i | 118.0 (8) | O7—Si1—OW2vii | 120.3 (15) |
O3—Ba2—O4i | 131.8 (8) | O6—Si1—OW2vii | 118.0 (15) |
O5iv—Ba2—O4i | 93.7 (7) | Ba2xvii—Si1—OW2vii | 82.8 (5) |
O4viii—Ba2—O4i | 66.0 (3) | Ba2vii—Si1—OW2vii | 82.8 (5) |
O12—Ba2—O6ix | 72.4 (19) | O12xvii—Si1—Ba2xix | 58.6 (11) |
Si2vi—Ba2—O6ix | 116.7 (9) | O12vii—Si1—Ba2xix | 113.5 (13) |
Si1vii—Ba2—O6ix | 38.1 (5) | O7—Si1—Ba2xix | 137.8 (8) |
O3—Ba2—O6ix | 112.1 (10) | O6—Si1—Ba2xix | 47.1 (8) |
O5iv—Ba2—O6ix | 80.1 (7) | Ba2xvii—Si1—Ba2xix | 52.8 (3) |
O4viii—Ba2—O6ix | 149.4 (9) | Ba2vii—Si1—Ba2xix | 122.8 (6) |
O4i—Ba2—O6ix | 107.4 (8) | OW2vii—Si1—Ba2xix | 85.6 (4) |
O12—Ba2—O7x | 72.1 (18) | O12xvii—Si1—Ba2ix | 113.5 (13) |
Si2vi—Ba2—O7x | 115.6 (8) | O12vii—Si1—Ba2ix | 58.6 (11) |
Si1vii—Ba2—O7x | 37.0 (5) | O7—Si1—Ba2ix | 137.8 (8) |
O3—Ba2—O7x | 75.4 (7) | O6—Si1—Ba2ix | 47.1 (8) |
O5iv—Ba2—O7x | 112.8 (9) | Ba2xvii—Si1—Ba2ix | 122.8 (6) |
O4viii—Ba2—O7x | 105.0 (7) | Ba2vii—Si1—Ba2ix | 52.8 (3) |
O4i—Ba2—O7x | 149.1 (9) | OW2vii—Si1—Ba2ix | 85.6 (4) |
O6ix—Ba2—O7x | 64.4 (4) | Ba2xix—Si1—Ba2ix | 70.6 (3) |
O12—Ba2—Ba2v | 91.2 (16) | O12xvii—Si1—Ba2iv | 61.4 (11) |
Si2vi—Ba2—Ba2v | 91.22 (7) | O12vii—Si1—Ba2iv | 115.3 (13) |
Si1vii—Ba2—Ba2v | 91.5 (5) | O7—Si1—Ba2iv | 47.7 (8) |
O3—Ba2—Ba2v | 125.2 (4) | O6—Si1—Ba2iv | 139.0 (8) |
O5iv—Ba2—Ba2v | 57.5 (3) | Ba2xvii—Si1—Ba2iv | 56.5 (3) |
O4viii—Ba2—Ba2v | 124.3 (3) | Ba2vii—Si1—Ba2iv | 125.3 (6) |
O4i—Ba2—Ba2v | 58.3 (3) | OW2vii—Si1—Ba2iv | 86.1 (4) |
O6ix—Ba2—Ba2v | 58.5 (2) | Ba2xix—Si1—Ba2iv | 109.33 (11) |
O7x—Ba2—Ba2v | 122.9 (2) | Ba2ix—Si1—Ba2iv | 171.7 (6) |
O12—Ba2—OW2 | 3.3 (18) | O12xvii—Si1—Ba2x | 115.3 (13) |
Si2vi—Ba2—OW2 | 49.2 (5) | O12vii—Si1—Ba2x | 61.4 (11) |
Si1vii—Ba2—OW2 | 51.8 (5) | O7—Si1—Ba2x | 47.7 (8) |
O3—Ba2—OW2 | 142.1 (4) | O6—Si1—Ba2x | 139.0 (8) |
O5iv—Ba2—OW2 | 147.1 (3) | Ba2xvii—Si1—Ba2x | 125.3 (6) |
O4viii—Ba2—OW2 | 74.5 (6) | Ba2vii—Si1—Ba2x | 56.5 (3) |
O4i—Ba2—OW2 | 74.1 (6) | OW2vii—Si1—Ba2x | 86.1 (4) |
O6ix—Ba2—OW2 | 75.0 (7) | Ba2xix—Si1—Ba2x | 171.7 (6) |
O7x—Ba2—OW2 | 75.0 (7) | Ba2ix—Si1—Ba2x | 109.33 (11) |
Ba2v—Ba2—OW2 | 90.86 (5) | Ba2iv—Si1—Ba2x | 69.5 (3) |
O12—Ba2—Ba2xi | 88.8 (16) | O12xiii—Si2—O12ii | 110 (3) |
Si2vi—Ba2—Ba2xi | 88.78 (7) | O12xiii—Si2—O4 | 105.9 (13) |
Si1vii—Ba2—Ba2xi | 88.5 (5) | O12ii—Si2—O4 | 107.5 (13) |
O3—Ba2—Ba2xi | 54.8 (4) | O12xiii—Si2—O4xxii | 107.5 (13) |
O5iv—Ba2—Ba2xi | 122.5 (3) | O12ii—Si2—O4xxii | 105.9 (13) |
O4viii—Ba2—Ba2xi | 55.7 (3) | O4—Si2—O4xxii | 120 (2) |
O4i—Ba2—Ba2xi | 121.7 (3) | O12xiii—Si2—Ba2xiii | 31.2 (12) |
O6ix—Ba2—Ba2xi | 121.5 (2) | O12ii—Si2—Ba2xiii | 141.1 (16) |
O7x—Ba2—Ba2xi | 57.1 (2) | O4—Si2—Ba2xiii | 91.2 (7) |
Ba2v—Ba2—Ba2xi | 180.0 (3) | O4xxii—Si2—Ba2xiii | 92.6 (7) |
OW2—Ba2—Ba2xi | 89.14 (5) | O12xiii—Si2—Ba2ii | 141.1 (16) |
O2viii—Ti1—O2 | 180.000 (1) | O12ii—Si2—Ba2ii | 31.2 (12) |
O2viii—Ti1—O2xii | 82.7 (12) | O4—Si2—Ba2ii | 92.6 (7) |
O2—Ti1—O2xii | 97.3 (12) | O4xxii—Si2—Ba2ii | 91.2 (7) |
O2viii—Ti1—O2i | 97.3 (12) | Ba2xiii—Si2—Ba2ii | 172.4 (11) |
O2—Ti1—O2i | 82.7 (12) | O12xiii—Si2—OW2xiii | 54.9 (13) |
O2xii—Ti1—O2i | 180.000 (1) | O12ii—Si2—OW2xiii | 54.9 (13) |
O2viii—Ti1—O11viii | 89.5 (7) | O4—Si2—OW2xiii | 120.0 (11) |
O2—Ti1—O11viii | 90.5 (7) | O4xxii—Si2—OW2xiii | 120.0 (11) |
O2xii—Ti1—O11viii | 89.5 (7) | Ba2xiii—Si2—OW2xiii | 86.2 (5) |
O2i—Ti1—O11viii | 90.5 (7) | Ba2ii—Si2—OW2xiii | 86.2 (5) |
O2viii—Ti1—O11 | 90.5 (7) | O12xiii—Si2—Ba2xxiv | 59.7 (10) |
O2—Ti1—O11 | 89.5 (7) | O12ii—Si2—Ba2xxiv | 117.4 (11) |
O2xii—Ti1—O11 | 90.5 (7) | O4—Si2—Ba2xxiv | 135.2 (9) |
O2i—Ti1—O11 | 89.5 (7) | O4xxii—Si2—Ba2xxiv | 47.9 (8) |
O11viii—Ti1—O11 | 180.000 (1) | Ba2xiii—Si2—Ba2xxiv | 53.57 (10) |
O2viii—Ti1—Ti1vi | 41.6 (6) | Ba2ii—Si2—Ba2xxiv | 126.07 (13) |
O2—Ti1—Ti1vi | 138.4 (6) | OW2xiii—Si2—Ba2xxiv | 87.8 (3) |
O2xii—Ti1—Ti1vi | 41.6 (6) | O12xiii—Si2—Ba2i | 117.4 (11) |
O2i—Ti1—Ti1vi | 138.4 (6) | O12ii—Si2—Ba2i | 59.7 (10) |
O11viii—Ti1—Ti1vi | 93.8 (6) | O4—Si2—Ba2i | 47.9 (8) |
O11—Ti1—Ti1vi | 86.2 (6) | O4xxii—Si2—Ba2i | 135.2 (9) |
O2viii—Ti1—Ti1xiii | 138.4 (6) | Ba2xiii—Si2—Ba2i | 126.07 (13) |
O2—Ti1—Ti1xiii | 41.6 (6) | Ba2ii—Si2—Ba2i | 53.57 (10) |
O2xii—Ti1—Ti1xiii | 138.4 (6) | OW2xiii—Si2—Ba2i | 87.8 (3) |
O2i—Ti1—Ti1xiii | 41.6 (6) | Ba2xxiv—Si2—Ba2i | 175.6 (6) |
O11viii—Ti1—Ti1xiii | 86.2 (6) | O12xiii—Si2—Ba2viii | 61.8 (10) |
O11—Ti1—Ti1xiii | 93.8 (6) | O12ii—Si2—Ba2viii | 115.4 (11) |
Ti1vi—Ti1—Ti1xiii | 180.0 | O4—Si2—Ba2viii | 44.6 (8) |
O2viii—Ti1—Ba1xii | 48.5 (6) | O4xxii—Si2—Ba2viii | 138.6 (10) |
O2—Ti1—Ba1xii | 131.5 (6) | Ba2xiii—Si2—Ba2viii | 56.81 (11) |
O2xii—Ti1—Ba1xii | 91.3 (6) | Ba2ii—Si2—Ba2viii | 122.85 (13) |
O2i—Ti1—Ba1xii | 88.7 (6) | OW2xiii—Si2—Ba2viii | 87.8 (3) |
O11viii—Ti1—Ba1xii | 41.7 (4) | Ba2xxiv—Si2—Ba2viii | 110.38 (10) |
O11—Ti1—Ba1xii | 138.3 (4) | Ba2i—Si2—Ba2viii | 69.44 (10) |
Ti1vi—Ti1—Ba1xii | 68.451 (14) | O12xiii—Si2—Ba2xxv | 115.4 (11) |
Ti1xiii—Ti1—Ba1xii | 111.549 (14) | O12ii—Si2—Ba2xxv | 61.8 (10) |
O2viii—Ti1—Ba1viii | 91.3 (6) | O4—Si2—Ba2xxv | 138.6 (10) |
O2—Ti1—Ba1viii | 88.7 (6) | O4xxii—Si2—Ba2xxv | 44.6 (8) |
O2xii—Ti1—Ba1viii | 48.5 (6) | Ba2xiii—Si2—Ba2xxv | 122.85 (13) |
O2i—Ti1—Ba1viii | 131.5 (6) | Ba2ii—Si2—Ba2xxv | 56.81 (11) |
O11viii—Ti1—Ba1viii | 41.7 (4) | OW2xiii—Si2—Ba2xxv | 87.8 (3) |
O11—Ti1—Ba1viii | 138.3 (4) | Ba2xxiv—Si2—Ba2xxv | 69.45 (10) |
Ti1vi—Ti1—Ba1viii | 68.451 (14) | Ba2i—Si2—Ba2xxv | 110.38 (10) |
Ti1xiii—Ti1—Ba1viii | 111.549 (14) | Ba2viii—Si2—Ba2xxv | 175.7 (6) |
Ba1xii—Ti1—Ba1viii | 62.38 (6) | O10—Si3—O10iv | 121.2 (19) |
O2viii—Ti1—Ba1i | 131.5 (6) | O10—Si3—O1 | 106.7 (6) |
O2—Ti1—Ba1i | 48.5 (6) | O10iv—Si3—O1 | 106.7 (6) |
O2xii—Ti1—Ba1i | 88.7 (6) | O10—Si3—O1iv | 106.7 (6) |
O2i—Ti1—Ba1i | 91.3 (6) | O10iv—Si3—O1iv | 106.7 (6) |
O11viii—Ti1—Ba1i | 138.3 (4) | O1—Si3—O1iv | 108.5 (17) |
O11—Ti1—Ba1i | 41.7 (4) | O10—Si3—Ba1xv | 46.0 (6) |
Ti1vi—Ti1—Ba1i | 111.549 (14) | O10iv—Si3—Ba1xv | 137.4 (6) |
Ti1xiii—Ti1—Ba1i | 68.451 (14) | O1—Si3—Ba1xv | 60.9 (3) |
Ba1xii—Ti1—Ba1i | 180.00 (5) | O1iv—Si3—Ba1xv | 115.9 (4) |
Ba1viii—Ti1—Ba1i | 117.62 (6) | O10—Si3—Ba1xix | 137.4 (6) |
O2viii—Ti1—Ba1 | 88.7 (6) | O10iv—Si3—Ba1xix | 46.0 (6) |
O2—Ti1—Ba1 | 91.3 (6) | O1—Si3—Ba1xix | 115.9 (4) |
O2xii—Ti1—Ba1 | 131.5 (6) | O1iv—Si3—Ba1xix | 60.9 (3) |
O2i—Ti1—Ba1 | 48.5 (6) | Ba1xv—Si3—Ba1xix | 175.2 (3) |
O11viii—Ti1—Ba1 | 138.3 (4) | O10—Si3—Ba1 | 137.4 (6) |
O11—Ti1—Ba1 | 41.7 (4) | O10iv—Si3—Ba1 | 46.0 (6) |
Ti1vi—Ti1—Ba1 | 111.549 (14) | O1—Si3—Ba1 | 60.9 (3) |
Ti1xiii—Ti1—Ba1 | 68.451 (14) | O1iv—Si3—Ba1 | 115.9 (4) |
Ba1xii—Ti1—Ba1 | 117.62 (6) | Ba1xv—Si3—Ba1 | 110.35 (6) |
Ba1viii—Ti1—Ba1 | 180.00 (5) | Ba1xix—Si3—Ba1 | 69.43 (6) |
Ba1i—Ti1—Ba1 | 62.38 (6) | O10—Si3—Ba1iv | 46.0 (6) |
O8xiv—Ti2—O8iv | 180.000 (2) | O10iv—Si3—Ba1iv | 137.4 (6) |
O8xiv—Ti2—O8x | 98.2 (14) | O1—Si3—Ba1iv | 115.9 (4) |
O8iv—Ti2—O8x | 81.8 (14) | O1iv—Si3—Ba1iv | 60.9 (3) |
O8xiv—Ti2—O8 | 81.8 (14) | Ba1xv—Si3—Ba1iv | 69.43 (6) |
O8iv—Ti2—O8 | 98.2 (14) | Ba1xix—Si3—Ba1iv | 110.35 (6) |
O8x—Ti2—O8 | 180.000 (3) | Ba1—Si3—Ba1iv | 175.2 (3) |
O8xiv—Ti2—O7x | 90.000 (4) | O11xi—Si4—O11 | 114 (2) |
O8iv—Ti2—O7x | 90.000 (4) | O11xi—Si4—O1i | 109.3 (6) |
O8x—Ti2—O7x | 90.000 (4) | O11—Si4—O1i | 109.3 (6) |
O8—Ti2—O7x | 90.000 (4) | O11xi—Si4—O1 | 109.3 (6) |
O8xiv—Ti2—O7 | 90.000 (3) | O11—Si4—O1 | 109.3 (6) |
O8iv—Ti2—O7 | 90.000 (5) | O1i—Si4—O1 | 105.4 (17) |
O8x—Ti2—O7 | 90.000 (4) | O11xi—Si4—Ba1i | 136.1 (6) |
O8—Ti2—O7 | 90.000 (2) | O11—Si4—Ba1i | 49.7 (6) |
O7x—Ti2—O7 | 180.000 (1) | O1i—Si4—Ba1i | 60.1 (3) |
O8xiv—Ti2—Ti3 | 139.1 (7) | O1—Si4—Ba1i | 114.6 (4) |
O8iv—Ti2—Ti3 | 40.9 (7) | O11xi—Si4—Ba1xv | 49.7 (6) |
O8x—Ti2—Ti3 | 40.9 (7) | O11—Si4—Ba1xv | 136.1 (6) |
O8—Ti2—Ti3 | 139.1 (7) | O1i—Si4—Ba1xv | 114.6 (4) |
O7x—Ti2—Ti3 | 90.000 (2) | O1—Si4—Ba1xv | 60.1 (3) |
O7—Ti2—Ti3 | 90.000 (2) | Ba1i—Si4—Ba1xv | 172.2 (3) |
O8xiv—Ti2—Ti3xv | 40.9 (7) | O11xi—Si4—Ba1xxvi | 49.7 (6) |
O8iv—Ti2—Ti3xv | 139.1 (7) | O11—Si4—Ba1xxvi | 136.1 (6) |
O8x—Ti2—Ti3xv | 139.1 (7) | O1i—Si4—Ba1xxvi | 60.1 (3) |
O8—Ti2—Ti3xv | 40.9 (7) | O1—Si4—Ba1xxvi | 114.6 (4) |
O7x—Ti2—Ti3xv | 90.000 (2) | Ba1i—Si4—Ba1xxvi | 109.26 (7) |
O7—Ti2—Ti3xv | 90.000 (2) | Ba1xv—Si4—Ba1xxvi | 70.18 (6) |
Ti3—Ti2—Ti3xv | 180.0 | O11xi—Si4—Ba1 | 136.1 (6) |
O8xiv—Ti2—Ba2xvi | 51.54 (14) | O11—Si4—Ba1 | 49.7 (6) |
O8iv—Ti2—Ba2xvi | 128.46 (14) | O1i—Si4—Ba1 | 114.6 (4) |
O8x—Ti2—Ba2xvi | 87.0 (5) | O1—Si4—Ba1 | 60.1 (3) |
O8—Ti2—Ba2xvi | 93.0 (5) | Ba1i—Si4—Ba1 | 70.18 (6) |
O7x—Ti2—Ba2xvi | 39.65 (5) | Ba1xv—Si4—Ba1 | 109.26 (7) |
O7—Ti2—Ba2xvi | 140.35 (5) | Ba1xxvi—Si4—Ba1 | 172.2 (3) |
Ti3—Ti2—Ba2xvi | 112.14 (4) | Si4—O1—Si3 | 163.0 (16) |
Ti3xv—Ti2—Ba2xvi | 67.86 (4) | Si4—O1—Ba1xv | 93.4 (5) |
O8xiv—Ti2—Ba2xi | 93.0 (5) | Si3—O1—Ba1xv | 92.4 (5) |
O8iv—Ti2—Ba2xi | 87.0 (5) | Si4—O1—Ba1 | 93.4 (5) |
O8x—Ti2—Ba2xi | 128.46 (14) | Si3—O1—Ba1 | 92.4 (5) |
O8—Ti2—Ba2xi | 51.54 (14) | Ba1xv—O1—Ba1 | 139.8 (8) |
O7x—Ti2—Ba2xi | 39.65 (5) | Ti1—O2—Ti1xiii | 96.9 (12) |
O7—Ti2—Ba2xi | 140.35 (5) | Ti1—O2—Ti4 | 130.0 (6) |
Ti3—Ti2—Ba2xi | 112.14 (4) | Ti1xiii—O2—Ti4 | 130.0 (6) |
Ti3xv—Ti2—Ba2xi | 67.86 (4) | Ti1—O2—Ba1i | 102.9 (7) |
Ba2xvi—Ti2—Ba2xi | 61.97 (11) | Ti1xiii—O2—Ba1i | 102.9 (7) |
O8xiv—Ti2—Ba2xvii | 128.46 (14) | Ti4—O2—Ba1i | 84.6 (8) |
O8iv—Ti2—Ba2xvii | 51.54 (14) | Ti5iv—O3—Ti5 | 98.6 (13) |
O8x—Ti2—Ba2xvii | 93.0 (5) | Ti5iv—O3—Ba2xi | 153.7 (13) |
O8—Ti2—Ba2xvii | 87.0 (5) | Ti5—O3—Ba2xi | 91.2 (4) |
O7x—Ti2—Ba2xvii | 140.35 (5) | Ti5iv—O3—Ba2 | 91.2 (4) |
O7—Ti2—Ba2xvii | 39.65 (5) | Ti5—O3—Ba2 | 153.7 (13) |
Ti3—Ti2—Ba2xvii | 67.86 (4) | Ba2xi—O3—Ba2 | 70.5 (8) |
Ti3xv—Ti2—Ba2xvii | 112.14 (4) | Si2—O4—Si2v | 120 (2) |
Ba2xvi—Ti2—Ba2xvii | 180.0 | Si2—O4—Ti4 | 120.0 (11) |
Ba2xi—Ti2—Ba2xvii | 118.03 (11) | Si2v—O4—Ti4 | 120.0 (11) |
O8xiv—Ti2—Ba2xiv | 87.0 (5) | Si2—O4—Ba2viii | 109.1 (13) |
O8iv—Ti2—Ba2xiv | 93.0 (5) | Si2v—O4—Ba2viii | 49.5 (5) |
O8x—Ti2—Ba2xiv | 51.54 (14) | Ti4—O4—Ba2viii | 107.9 (9) |
O8—Ti2—Ba2xiv | 128.46 (14) | Si2—O4—Ba2xiii | 49.5 (5) |
O7x—Ti2—Ba2xiv | 39.65 (5) | Si2v—O4—Ba2xiii | 109.1 (13) |
O7—Ti2—Ba2xiv | 140.35 (5) | Ti4—O4—Ba2xiii | 107.9 (9) |
Ti3—Ti2—Ba2xiv | 67.86 (4) | Ba2viii—O4—Ba2xiii | 68.6 (6) |
Ti3xv—Ti2—Ba2xiv | 112.14 (4) | Si2—O4—Ba2ii | 48.8 (5) |
Ba2xvi—Ti2—Ba2xiv | 44.28 (8) | Si2v—O4—Ba2ii | 104.5 (12) |
Ba2xi—Ti2—Ba2xiv | 79.29 (10) | Ti4—O4—Ba2ii | 115.0 (9) |
Ba2xvii—Ti2—Ba2xiv | 135.72 (8) | Ba2viii—O4—Ba2ii | 137.1 (13) |
O8x—Ti3—O8iii | 180.000 (2) | Ba2xiii—O4—Ba2ii | 98.1 (6) |
O8x—Ti3—O8iv | 83.3 (15) | Si2—O4—Ba2i | 104.5 (12) |
O8iii—Ti3—O8iv | 96.7 (15) | Si2v—O4—Ba2i | 48.8 (5) |
O8x—Ti3—O8xviii | 96.7 (15) | Ti4—O4—Ba2i | 115.0 (9) |
O8iii—Ti3—O8xviii | 83.3 (15) | Ba2viii—O4—Ba2i | 98.1 (6) |
O8iv—Ti3—O8xviii | 180.000 (3) | Ba2xiii—O4—Ba2i | 137.1 (13) |
O8x—Ti3—O6ix | 90.000 (4) | Ba2ii—O4—Ba2i | 63.4 (5) |
O8iii—Ti3—O6ix | 90.000 (4) | Ti5xxiii—O5—Ti5 | 96.3 (11) |
O8iv—Ti3—O6ix | 90.000 (4) | Ti5xxiii—O5—Ba2iv | 146.7 (11) |
O8xviii—Ti3—O6ix | 90.000 (4) | Ti5—O5—Ba2iv | 92.0 (4) |
O8x—Ti3—O6 | 90.000 (3) | Ti5xxiii—O5—Ba2xxvii | 92.0 (4) |
O8iii—Ti3—O6 | 90.000 (5) | Ti5—O5—Ba2xxvii | 146.7 (11) |
O8iv—Ti3—O6 | 90.000 (3) | Ba2iv—O5—Ba2xxvii | 65.0 (5) |
O8xviii—Ti3—O6 | 90.000 (5) | Ti5xxiii—O5—Ba1iv | 102.1 (8) |
O6ix—Ti3—O6 | 180.000 (1) | Ti5—O5—Ba1iv | 102.1 (8) |
O8x—Ti3—Ti2 | 41.6 (8) | Ba2iv—O5—Ba1iv | 107.5 (7) |
O8iii—Ti3—Ti2 | 138.4 (8) | Ba2xxvii—O5—Ba1iv | 107.5 (7) |
O8iv—Ti3—Ti2 | 41.6 (8) | Si1v—O6—Si1 | 123 (3) |
O8xviii—Ti3—Ti2 | 138.4 (8) | Si1v—O6—Ti3 | 118.3 (14) |
O6ix—Ti3—Ti2 | 90.000 (2) | Si1—O6—Ti3 | 118.3 (14) |
O6—Ti3—Ti2 | 90.000 (2) | Si1v—O6—Ba2xix | 49.8 (4) |
O8x—Ti3—Ti2iii | 138.4 (8) | Si1—O6—Ba2xix | 106.0 (13) |
O8iii—Ti3—Ti2iii | 41.6 (8) | Ti3—O6—Ba2xix | 112.9 (8) |
O8iv—Ti3—Ti2iii | 138.4 (8) | Si1v—O6—Ba2xvii | 106.0 (13) |
O8xviii—Ti3—Ti2iii | 41.6 (8) | Si1—O6—Ba2xvii | 49.8 (4) |
O6ix—Ti3—Ti2iii | 90.000 (2) | Ti3—O6—Ba2xvii | 112.9 (8) |
O6—Ti3—Ti2iii | 90.000 (2) | Ba2xix—O6—Ba2xvii | 63.1 (4) |
Ti2—Ti3—Ti2iii | 180.0 | Si1v—O6—Ba2vii | 106.0 (13) |
O8x—Ti3—Ba2xiv | 52.24 (15) | Si1—O6—Ba2vii | 49.8 (4) |
O8iii—Ti3—Ba2xiv | 127.76 (15) | Ti3—O6—Ba2vii | 112.9 (8) |
O8iv—Ti3—Ba2xiv | 94.4 (5) | Ba2xix—O6—Ba2vii | 134.3 (16) |
O8xviii—Ti3—Ba2xiv | 85.6 (5) | Ba2xvii—O6—Ba2vii | 98.7 (8) |
O6ix—Ti3—Ba2xiv | 39.09 (5) | Si1v—O6—Ba2ix | 49.8 (4) |
O6—Ti3—Ba2xiv | 140.91 (5) | Si1—O6—Ba2ix | 106.0 (13) |
Ti2—Ti3—Ba2xiv | 69.02 (4) | Ti3—O6—Ba2ix | 112.9 (8) |
Ti2iii—Ti3—Ba2xiv | 110.98 (4) | Ba2xix—O6—Ba2ix | 98.7 (8) |
O8x—Ti3—Ba2v | 127.76 (15) | Ba2xvii—O6—Ba2ix | 134.3 (16) |
O8iii—Ti3—Ba2v | 52.24 (15) | Ba2vii—O6—Ba2ix | 63.1 (4) |
O8iv—Ti3—Ba2v | 85.6 (5) | Si1—O7—Si1xi | 120 (3) |
O8xviii—Ti3—Ba2v | 94.4 (5) | Si1—O7—Ti2 | 120.0 (13) |
O6ix—Ti3—Ba2v | 39.09 (5) | Si1xi—O7—Ti2 | 120.0 (13) |
O6—Ti3—Ba2v | 140.91 (5) | Si1—O7—Ba2xvii | 48.1 (4) |
Ti2—Ti3—Ba2v | 110.98 (4) | Si1xi—O7—Ba2xvii | 105.8 (13) |
Ti2iii—Ti3—Ba2v | 69.02 (4) | Ti2—O7—Ba2xvii | 113.3 (7) |
Ba2xiv—Ti3—Ba2v | 78.17 (11) | Si1—O7—Ba2iv | 105.8 (13) |
O8x—Ti3—Ba2xix | 127.76 (15) | Si1xi—O7—Ba2iv | 48.1 (4) |
O8iii—Ti3—Ba2xix | 52.24 (15) | Ti2—O7—Ba2iv | 113.3 (7) |
O8iv—Ti3—Ba2xix | 85.6 (5) | Ba2xvii—O7—Ba2iv | 65.7 (4) |
O8xviii—Ti3—Ba2xix | 94.4 (5) | Si1—O7—Ba2x | 105.8 (13) |
O6ix—Ti3—Ba2xix | 140.91 (5) | Si1xi—O7—Ba2x | 48.1 (4) |
O6—Ti3—Ba2xix | 39.09 (5) | Ti2—O7—Ba2x | 113.3 (7) |
Ti2—Ti3—Ba2xix | 110.98 (4) | Ba2xvii—O7—Ba2x | 133.4 (15) |
Ti2iii—Ti3—Ba2xix | 69.02 (4) | Ba2iv—O7—Ba2x | 95.7 (7) |
Ba2xiv—Ti3—Ba2xix | 180.0 | Si1—O7—Ba2vii | 48.1 (4) |
Ba2v—Ti3—Ba2xix | 101.83 (11) | Si1xi—O7—Ba2vii | 105.8 (13) |
O8x—Ti3—Ba2xx | 85.6 (5) | Ti2—O7—Ba2vii | 113.3 (7) |
O8iii—Ti3—Ba2xx | 94.4 (5) | Ba2xvii—O7—Ba2vii | 95.7 (7) |
O8iv—Ti3—Ba2xx | 127.76 (15) | Ba2iv—O7—Ba2vii | 133.4 (15) |
O8xviii—Ti3—Ba2xx | 52.24 (15) | Ba2x—O7—Ba2vii | 65.7 (4) |
O6ix—Ti3—Ba2xx | 39.09 (5) | Ti3xv—O8—Ti2 | 97.5 (13) |
O6—Ti3—Ba2xx | 140.91 (5) | Ti3xv—O8—Ti5 | 131.0 (12) |
Ti2—Ti3—Ba2xx | 110.98 (4) | Ti2—O8—Ti5 | 131.6 (11) |
Ti2iii—Ti3—Ba2xx | 69.02 (4) | Ti3xv—O8—Ba2xi | 99.0 (4) |
Ba2xiv—Ti3—Ba2xx | 41.96 (8) | Ti2—O8—Ba2xi | 99.5 (4) |
Ba2v—Ti3—Ba2xx | 62.53 (11) | Ti5—O8—Ba2xi | 75.9 (5) |
Ba2xix—Ti3—Ba2xx | 138.04 (8) | Ti3xv—O8—Ba2iv | 99.0 (4) |
O9xii—Ti4—O9xxi | 107.7 (13) | Ti2—O8—Ba2iv | 99.5 (4) |
O9xii—Ti4—O4 | 92.0 (8) | Ti5—O8—Ba2iv | 75.9 (5) |
O9xxi—Ti4—O4 | 92.0 (8) | Ba2xi—O8—Ba2iv | 151.7 (10) |
O9xii—Ti4—O2 | 96.1 (8) | Ti4xii—O9—Ti4 | 98.4 (10) |
O9xxi—Ti4—O2 | 96.1 (8) | Ti4xii—O9—Ba1i | 148.0 (11) |
O4—Ti4—O2 | 166.3 (9) | Ti4—O9—Ba1i | 95.3 (6) |
O9xii—Ti4—O9v | 170.7 (6) | Ti4xii—O9—Ba2i | 99.8 (8) |
O9xxi—Ti4—O9v | 81.5 (10) | Ti4—O9—Ba2i | 100.2 (8) |
O4—Ti4—O9v | 86.2 (7) | Ba1i—O9—Ba2i | 106.0 (7) |
O2—Ti4—O9v | 84.0 (7) | Si3—O10—Ti5 | 123.2 (13) |
O9xii—Ti4—O9 | 81.5 (10) | Si3—O10—Ba1xv | 109.4 (9) |
O9xxi—Ti4—O9 | 170.7 (6) | Ti5—O10—Ba1xv | 107.5 (7) |
O4—Ti4—O9 | 86.2 (7) | Si3—O10—Ba1iv | 109.4 (9) |
O2—Ti4—O9 | 84.0 (7) | Ti5—O10—Ba1iv | 107.5 (7) |
O9v—Ti4—O9 | 89.2 (10) | Ba1xv—O10—Ba1iv | 96.6 (7) |
O9xii—Ti4—Ti4xxii | 151.9 (7) | Si4—O11—Ti1 | 126.9 (14) |
O9xxi—Ti4—Ti4xxii | 44.2 (6) | Si4—O11—Ba1i | 104.9 (10) |
O4—Ti4—Ti4xxii | 89.36 (10) | Ti1—O11—Ba1i | 110.7 (7) |
O2—Ti4—Ti4xxii | 88.72 (10) | Si4—O11—Ba1 | 104.9 (10) |
O9v—Ti4—Ti4xxii | 37.3 (5) | Ti1—O11—Ba1 | 110.7 (7) |
O9—Ti4—Ti4xxii | 126.6 (6) | Ba1i—O11—Ba1 | 93.4 (7) |
O9xii—Ti4—Ti4xii | 44.2 (6) | Ba2—O12—Si1vii | 101 (2) |
O9xxi—Ti4—Ti4xii | 151.9 (7) | Ba2—O12—Si2vi | 96 (2) |
O4—Ti4—Ti4xii | 89.36 (10) | Si1vii—O12—Si2vi | 162 (3) |
O2—Ti4—Ti4xii | 88.72 (10) | Ba2—O12—Ba2v | 68.5 (15) |
O9v—Ti4—Ti4xii | 126.6 (6) | Si1vii—O12—Ba2v | 95.1 (14) |
O9—Ti4—Ti4xii | 37.3 (5) | Si2vi—O12—Ba2v | 92.9 (13) |
Ti4xxii—Ti4—Ti4xii | 163.9 (5) | Ba2—O12—Ba2xi | 71.6 (15) |
O9xii—Ti4—Ba1i | 123.9 (7) | Si1vii—O12—Ba2xi | 92.6 (13) |
O9xxi—Ti4—Ba1i | 123.9 (7) | Si2vi—O12—Ba2xi | 91.4 (12) |
O4—Ti4—Ba1i | 105.7 (6) | Ba2v—O12—Ba2xi | 140.1 (12) |
O2—Ti4—Ba1i | 60.5 (6) | Ba1i—OW1—Ba1 | 90.91 (9) |
O9v—Ti4—Ba1i | 48.4 (5) | Ba1i—OW1—Ba1xxviii | 89.09 (9) |
O9—Ti4—Ba1i | 48.4 (5) | Ba1—OW1—Ba1xxviii | 180.00 (8) |
Ti4xxii—Ti4—Ba1i | 82.4 (2) | Ba1i—OW1—Ba1xix | 180.00 (5) |
Ti4xii—Ti4—Ba1i | 82.4 (2) | Ba1—OW1—Ba1xix | 89.09 (9) |
O9xii—Ti4—Ba2xiii | 91.6 (7) | Ba1xxviii—OW1—Ba1xix | 90.91 (9) |
O9xxi—Ti4—Ba2xiii | 52.0 (7) | Si2vi—OW2—Si2xxix | 180.000 (2) |
O4—Ti4—Ba2xiii | 42.3 (5) | Si2vi—OW2—Si1xxx | 90.000 (2) |
O2—Ti4—Ba2xiii | 147.9 (4) | Si2xxix—OW2—Si1xxx | 90.000 (2) |
O9v—Ti4—Ba2xiii | 93.2 (6) | Si2vi—OW2—Si1vii | 90.000 (2) |
O9—Ti4—Ba2xiii | 128.0 (7) | Si2xxix—OW2—Si1vii | 90.000 (2) |
Ti4xxii—Ti4—Ba2xiii | 70.91 (12) | Si1xxx—OW2—Si1vii | 180.000 (3) |
Ti4xii—Ti4—Ba2xiii | 117.54 (14) | Si2vi—OW2—Ba2xii | 44.61 (7) |
Ba1i—Ti4—Ba2xiii | 136.29 (17) | Si2xxix—OW2—Ba2xii | 135.39 (7) |
O9xii—Ti4—Ba2viii | 52.0 (7) | Si1xxx—OW2—Ba2xii | 45.41 (7) |
O9xxi—Ti4—Ba2viii | 91.6 (7) | Si1vii—OW2—Ba2xii | 134.59 (7) |
O4—Ti4—Ba2viii | 42.3 (5) | Si2vi—OW2—Ba2 | 44.61 (7) |
O2—Ti4—Ba2viii | 147.9 (4) | Si2xxix—OW2—Ba2 | 135.39 (7) |
O9v—Ti4—Ba2viii | 128.0 (7) | Si1xxx—OW2—Ba2 | 134.59 (7) |
O9—Ti4—Ba2viii | 93.2 (6) | Si1vii—OW2—Ba2 | 45.41 (7) |
Ti4xxii—Ti4—Ba2viii | 117.54 (14) | Ba2xii—OW2—Ba2 | 89.22 (14) |
Ti4xii—Ti4—Ba2viii | 70.91 (12) | Si2vi—OW2—Ba2xxxi | 135.39 (7) |
Ba1i—Ti4—Ba2viii | 136.29 (17) | Si2xxix—OW2—Ba2xxxi | 44.61 (7) |
Ba2xiii—Ti4—Ba2viii | 46.98 (12) | Si1xxx—OW2—Ba2xxxi | 45.41 (7) |
O9xii—Ti4—Ba2ii | 127.8 (7) | Si1vii—OW2—Ba2xxxi | 134.59 (7) |
O9xxi—Ti4—Ba2ii | 92.0 (7) | Ba2xii—OW2—Ba2xxxi | 90.78 (14) |
O4—Ti4—Ba2ii | 38.2 (5) | Ba2—OW2—Ba2xxxi | 180.00 (10) |
O2—Ti4—Ba2ii | 130.1 (5) | Si2vi—OW2—Ba2xiv | 135.39 (7) |
O9v—Ti4—Ba2ii | 48.6 (6) | Si2xxix—OW2—Ba2xiv | 44.61 (7) |
O9—Ti4—Ba2ii | 80.9 (6) | Si1xxx—OW2—Ba2xiv | 134.59 (7) |
Ti4xxii—Ti4—Ba2ii | 64.29 (14) | Si1vii—OW2—Ba2xiv | 45.41 (7) |
Ti4xii—Ti4—Ba2ii | 105.99 (19) | Ba2xii—OW2—Ba2xiv | 180.0 |
Ba1i—Ti4—Ba2ii | 74.25 (13) | Ba2—OW2—Ba2xiv | 90.78 (14) |
Ba2xiii—Ti4—Ba2ii | 63.20 (14) | Ba2xxxi—OW2—Ba2xiv | 89.22 (14) |
Ba2viii—Ti4—Ba2ii | 80.49 (17) |
Symmetry codes: (i) x, y, −z; (ii) −x, y, −z; (iii) x−1, y, z; (iv) −x+1, −y, z; (v) −x, y, z; (vi) x+1/2, −y+1/2, −z; (vii) x, −y, −z+1; (viii) −x+1/2, −y+1/2, −z; (ix) −x, −y, −z+1; (x) −x+1, −y, −z+1; (xi) −x+1, y, z; (xii) −x+1/2, −y+1/2, z; (xiii) x−1/2, −y+1/2, −z; (xiv) x, y, −z+1; (xv) x+1, y, z; (xvi) −x+1, y, −z+1; (xvii) x, −y, z; (xviii) x−1, y, −z+1; (xix) −x, −y, z; (xx) −x, y, −z+1; (xxi) x−1/2, −y+1/2, z; (xxii) −x−1/2, −y+1/2, z; (xxiii) −x+2, −y, z; (xxiv) −x−1/2, −y+1/2, −z; (xxv) x−1, y, −z; (xxvi) x+1, y, −z; (xxvii) x+1, −y, z; (xxviii) −x, −y, −z; (xxix) −x, y, z+1; (xxx) −x+1/2, y+1/2, z; (xxxi) −x+1/2, −y+1/2, −z+1. |
H2Ba3.20O25Si4Sr0.80Ti6 | F(000) = 1214 |
Mr = 1311.36 | Dx = 4.343 Mg m−3 |
Monoclinic, P2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 5.906 (2) Å | Cell parameters from 2479 reflections |
b = 16.719 (6) Å | θ = 1.2–27.9° |
c = 10.724 (5) Å | µ = 10.46 mm−1 |
β = 105.99 (5)° | T = 293 K |
V = 1017.9 (7) Å3 | Prismatic, opaque grey |
Z = 2 | 0.13 × 0.01 × 0.01 mm |
Bruker Smart Apex diffractometer | 2476 independent reflections |
Radiation source: fine-focus sealed tube | 1089 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.198 |
phi/ω scans | θmax = 27.9°, θmin = 1.2° |
Absorption correction: multi-scan Bruker SADABS | h = −7→7 |
Tmin = 0.355, Tmax = 0.903 | k = −21→21 |
10045 measured reflections | l = −14→14 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.083 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.227 | w = 1/[σ2(Fo2) + (0.1034P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.96 | (Δ/σ)max = 0.786 |
2476 reflections | Δρmax = 2.87 e Å−3 |
99 parameters | Δρmin = −2.79 e Å−3 |
0 restraints | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0039 (6) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ba1 | 0.0929 (8) | −0.1256 (2) | −0.0514 (4) | 0.0114 (13) | 0.78 (5) |
Sr1 | 0.0929 (8) | −0.1256 (2) | −0.0514 (4) | 0.0114 (13) | 0.22 (5) |
Ba2 | 0.0945 (8) | −0.3744 (3) | −0.0516 (4) | 0.0190 (14) | 0.85 (5) |
Sr2 | 0.0945 (8) | −0.3744 (3) | −0.0516 (4) | 0.0190 (14) | 0.15 (5) |
Ti1 | 0.0000 | −0.2479 (13) | 0.2500 | 0.0098 (12) | |
Ti2 | 0.262 (2) | −0.4477 (6) | 0.2709 (10) | 0.017 (2)* | |
Ti3 | 0.5000 | −0.2494 (13) | 0.2500 | 0.0086 (11) | |
Ti4 | 0.247 (2) | −0.0518 (6) | 0.2674 (10) | 0.014 (2)* | |
Si1 | 0.5000 | −0.1174 (13) | −0.2500 | 0.007 (5)* | |
Si2 | −0.3881 (11) | −0.2496 (12) | −0.0270 (5) | 0.0085 (11)* | |
Si3 | 0.5000 | −0.3833 (14) | −0.2500 | 0.011 (5)* | |
O1 | −0.433 (6) | −0.1677 (19) | −0.113 (3) | 0.019 (8)* | |
O2 | −0.428 (6) | −0.3225 (17) | −0.128 (3) | 0.010 (7)* | |
O3 | 0.232 (5) | −0.3277 (15) | 0.250 (3) | 0.014 (7)* | |
O4 | 0.254 (4) | −0.1717 (12) | 0.232 (2) | 0.000 (5)* | |
O5 | −0.062 (7) | −0.450 (2) | 0.133 (3) | 0.018 (9)* | |
O6 | −0.065 (5) | −0.0446 (16) | 0.119 (2) | 0.000 (6)* | |
O7 | −0.570 (7) | −0.446 (3) | 0.123 (3) | 0.013 (9)* | |
O8 | −0.562 (7) | −0.055 (3) | 0.123 (4) | 0.014 (9)* | |
O9 | 0.257 (6) | −0.0696 (15) | −0.257 (3) | 0.010 (6)* | |
O10 | 0.275 (5) | −0.4331 (14) | −0.236 (2) | 0.004 (6)* | |
O11 | −0.116 (3) | −0.249 (3) | 0.0548 (13) | 0.013 (3)* | |
O12 | −0.577 (3) | −0.251 (3) | 0.0565 (12) | 0.008 (3)* | |
OW1 | 0.0000 | −0.246 (4) | −0.2500 | 0.023 (6)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ba1 | 0.009 (3) | 0.0118 (17) | 0.016 (2) | 0.0037 (17) | 0.0082 (18) | 0.0016 (17) |
Sr1 | 0.009 (3) | 0.0118 (17) | 0.016 (2) | 0.0037 (17) | 0.0082 (18) | 0.0016 (17) |
Ba2 | 0.012 (3) | 0.023 (2) | 0.024 (3) | 0.0015 (19) | 0.0077 (19) | 0.0013 (19) |
Sr2 | 0.012 (3) | 0.023 (2) | 0.024 (3) | 0.0015 (19) | 0.0077 (19) | 0.0013 (19) |
Ti1 | 0.007 (2) | 0.010 (3) | 0.014 (3) | 0.000 | 0.005 (2) | 0.000 |
Ti3 | 0.009 (2) | 0.006 (2) | 0.012 (3) | 0.000 | 0.007 (2) | 0.000 |
Ba1—O8i | 2.64 (4) | Ti3—Ba1viii | 4.029 (12) |
Ba1—O6 | 2.65 (3) | Ti3—Sr1viii | 4.029 (12) |
Ba1—O9ii | 2.65 (3) | Ti4—O6v | 1.83 (3) |
Ba1—O11 | 2.80 (4) | Ti4—O8v | 1.91 (4) |
Ba1—O9 | 2.80 (3) | Ti4—O4 | 2.04 (2) |
Ba1—OW1 | 2.87 (5) | Ti4—O9ix | 2.05 (3) |
Ba1—O12i | 2.88 (4) | Ti4—O6 | 2.08 (3) |
Ba1—O6iii | 2.93 (3) | Ti4—O8i | 2.15 (4) |
Ba1—O4 | 3.03 (2) | Ti4—Ti4v | 2.84 (2) |
Ba1—O1 | 3.08 (3) | Ti4—Ti4viii | 3.11 (2) |
Ba1—O1i | 3.13 (3) | Ti4—Ba1ix | 3.791 (11) |
Ba1—Ti4 | 3.511 (12) | Ti4—Sr1ix | 3.791 (11) |
Sr1—O8i | 2.64 (4) | Si1—O9x | 1.63 (3) |
Sr1—O6 | 2.65 (3) | Si1—O9 | 1.63 (3) |
Sr1—O9ii | 2.65 (3) | Si1—O1ii | 1.65 (3) |
Sr1—O11 | 2.80 (4) | Si1—O1i | 1.65 (3) |
Sr1—O9 | 2.80 (3) | Si1—Sr1ii | 3.565 (5) |
Sr1—OW1 | 2.87 (5) | Si1—Ba1ii | 3.565 (5) |
Sr1—O12i | 2.88 (4) | Si1—Ba1i | 3.565 (5) |
Sr1—O6iii | 2.93 (3) | Si1—Sr1i | 3.565 (5) |
Sr1—O4 | 3.03 (2) | Si1—Sr1x | 3.627 (5) |
Sr1—O1 | 3.08 (3) | Si1—Ba1x | 3.627 (5) |
Sr1—O1i | 3.13 (3) | Si2—O2 | 1.60 (3) |
Sr1—Ti4 | 3.511 (12) | Si2—O11 | 1.605 (16) |
Ba2—O7i | 2.61 (4) | Si2—O12 | 1.612 (17) |
Ba2—O10 | 2.68 (3) | Si2—O1 | 1.63 (3) |
Ba2—O5 | 2.71 (4) | Si2—Sr1vi | 3.649 (14) |
Ba2—O11 | 2.84 (4) | Si2—Ba1vi | 3.649 (14) |
Ba2—O12i | 2.85 (4) | Si2—Sr2vi | 3.650 (14) |
Ba2—O10ii | 2.86 (3) | Si2—Ba2vi | 3.650 (14) |
Ba2—OW1 | 2.96 (5) | Si3—O10 | 1.61 (3) |
Ba2—O5iv | 3.06 (3) | Si3—O10x | 1.61 (3) |
Ba2—O2 | 3.09 (3) | Si3—O2i | 1.62 (3) |
Ba2—O3 | 3.21 (3) | Si3—O2ii | 1.62 (3) |
Ba2—O2i | 3.26 (3) | Si3—Sr2ii | 3.572 (5) |
Ba2—Ti2 | 3.543 (12) | Si3—Ba2ii | 3.572 (5) |
Sr2—O7i | 2.61 (4) | Si3—Ba2i | 3.572 (5) |
Sr2—O10 | 2.68 (3) | Si3—Sr2i | 3.572 (5) |
Sr2—O5 | 2.71 (4) | Si3—Ba2x | 3.618 (5) |
Sr2—O11 | 2.84 (4) | Si3—Sr2x | 3.618 (5) |
Sr2—O12i | 2.85 (4) | O1—Si1vi | 1.65 (3) |
Sr2—O10ii | 2.86 (3) | O1—Ba1vi | 3.13 (3) |
Sr2—OW1 | 2.96 (5) | O1—Sr1vi | 3.13 (3) |
Sr2—O5iv | 3.06 (3) | O2—Si3vi | 1.62 (3) |
Sr2—O2 | 3.09 (3) | O2—Ba2vi | 3.26 (3) |
Sr2—O3 | 3.21 (3) | O2—Sr2vi | 3.26 (3) |
Sr2—O2i | 3.26 (3) | O5—Ti2v | 1.77 (4) |
Sr2—Ti2 | 3.543 (12) | O5—Ba2iv | 3.06 (3) |
Ti1—O3v | 1.91 (3) | O5—Sr2iv | 3.06 (3) |
Ti1—O3 | 1.91 (3) | O6—Ti4v | 1.83 (3) |
Ti1—O11 | 2.015 (14) | O6—Ba1iii | 2.93 (3) |
Ti1—O11v | 2.015 (14) | O6—Sr1iii | 2.93 (3) |
Ti1—O4 | 2.02 (3) | O7—Ti2v | 1.86 (4) |
Ti1—O4v | 2.02 (3) | O7—Ti2vi | 2.09 (4) |
Ti1—Ti3vi | 2.9531 (11) | O7—Ba2vi | 2.61 (4) |
Ti1—Ti3 | 2.9531 (11) | O7—Sr2vi | 2.61 (4) |
Ti1—Sr1v | 3.989 (12) | O8—Ti4v | 1.91 (4) |
Ti1—Ba1v | 3.989 (12) | O8—Ti4vi | 2.15 (4) |
Ti2—O5v | 1.77 (4) | O8—Ba1vi | 2.64 (4) |
Ti2—O7v | 1.86 (4) | O8—Sr1vi | 2.64 (4) |
Ti2—O10vii | 2.00 (3) | O9—Ti4xi | 2.05 (3) |
Ti2—O3 | 2.02 (3) | O9—Sr1ii | 2.65 (3) |
Ti2—O5 | 2.07 (4) | O9—Ba1ii | 2.65 (3) |
Ti2—O7i | 2.09 (4) | O10—Ti2xii | 2.00 (3) |
Ti2—Ti2viii | 2.97 (2) | O10—Ba2ii | 2.86 (3) |
Ti2—Ti2v | 3.00 (2) | O10—Sr2ii | 2.86 (3) |
Ti2—Sr2vii | 3.805 (12) | O12—Ti3vi | 1.998 (13) |
Ti2—Ba2vii | 3.805 (12) | O12—Sr2vi | 2.85 (4) |
Ti3—O4 | 1.92 (3) | O12—Ba2vi | 2.85 (4) |
Ti3—O4viii | 1.92 (3) | O12—Ba1vi | 2.88 (4) |
Ti3—O12i | 1.998 (13) | O12—Sr1vi | 2.88 (4) |
Ti3—O12v | 1.998 (13) | OW1—Sr1ii | 2.87 (5) |
Ti3—O3 | 2.06 (3) | OW1—Ba1ii | 2.87 (5) |
Ti3—O3viii | 2.06 (3) | OW1—Sr2ii | 2.96 (5) |
Ti3—Ti1i | 2.9531 (11) | OW1—Ba2ii | 2.96 (5) |
O8i—Ba1—O6 | 68.3 (11) | O12i—Ti3—Ba1 | 42.2 (13) |
O8i—Ba1—O9ii | 132.5 (11) | O12v—Ti3—Ba1 | 139.0 (14) |
O6—Ba1—O9ii | 90.4 (9) | O3—Ti3—Ba1 | 92.2 (8) |
O8i—Ba1—O11 | 112.5 (10) | O3viii—Ti3—Ba1 | 128.1 (8) |
O6—Ba1—O11 | 79.4 (10) | Ti1—Ti3—Ba1 | 67.7 (3) |
O9ii—Ba1—O11 | 103.8 (8) | Ti1i—Ti3—Ba1 | 111.8 (4) |
O8i—Ba1—O9 | 92.4 (11) | Ba1viii—Ti3—Ba1 | 118.2 (5) |
O6—Ba1—O9 | 129.7 (8) | Sr1viii—Ti3—Ba1 | 118.2 (5) |
O9ii—Ba1—O9 | 68.7 (12) | Sr1—Ti3—Ba1 | 0.00 (14) |
O11—Ba1—O9 | 148.5 (9) | O6v—Ti4—O8v | 104.2 (14) |
O8i—Ba1—OW1 | 142.5 (10) | O6v—Ti4—O4 | 103.4 (12) |
O6—Ba1—OW1 | 147.2 (7) | O8v—Ti4—O4 | 91.3 (15) |
O9ii—Ba1—OW1 | 74.0 (10) | O6v—Ti4—O9ix | 93.6 (13) |
O11—Ba1—OW1 | 76.7 (11) | O8v—Ti4—O9ix | 92.6 (17) |
O9—Ba1—OW1 | 71.9 (10) | O4—Ti4—O9ix | 161.1 (12) |
O8i—Ba1—O12i | 74.7 (12) | O6v—Ti4—O6 | 86.8 (11) |
O6—Ba1—O12i | 115.0 (6) | O8v—Ti4—O6 | 168.8 (16) |
O9ii—Ba1—O12i | 149.9 (9) | O4—Ti4—O6 | 88.5 (10) |
O11—Ba1—O12i | 68.1 (7) | O9ix—Ti4—O6 | 84.1 (12) |
O9—Ba1—O12i | 102.5 (7) | O6v—Ti4—O8i | 175.3 (15) |
OW1—Ba1—O12i | 75.9 (10) | O8v—Ti4—O8i | 79.9 (16) |
O8i—Ba1—O6iii | 73.7 (11) | O4—Ti4—O8i | 78.7 (14) |
O6—Ba1—O6iii | 70.7 (9) | O9ix—Ti4—O8i | 83.7 (15) |
O9ii—Ba1—O6iii | 59.1 (8) | O6—Ti4—O8i | 89.1 (13) |
O11—Ba1—O6iii | 144.6 (10) | O6v—Ti4—Ti4v | 47.0 (9) |
O9—Ba1—O6iii | 59.2 (7) | O8v—Ti4—Ti4v | 151.0 (13) |
OW1—Ba1—O6iii | 120.7 (11) | O4—Ti4—Ti4v | 92.7 (8) |
O12i—Ba1—O6iii | 142.4 (9) | O9ix—Ti4—Ti4v | 92.8 (10) |
O8i—Ba1—O4 | 55.5 (10) | O6—Ti4—Ti4v | 40.2 (8) |
O6—Ba1—O4 | 60.4 (7) | O8i—Ti4—Ti4v | 129.0 (12) |
O9ii—Ba1—O4 | 146.2 (9) | O6v—Ti4—Ti4viii | 146.8 (10) |
O11—Ba1—O4 | 57.0 (5) | O8v—Ti4—Ti4viii | 42.9 (12) |
O9—Ba1—O4 | 142.7 (8) | O4—Ti4—Ti4viii | 84.8 (8) |
OW1—Ba1—O4 | 120.6 (11) | O9ix—Ti4—Ti4viii | 85.5 (10) |
O12i—Ba1—O4 | 54.6 (6) | O6—Ti4—Ti4viii | 126.0 (10) |
O6iii—Ba1—O4 | 118.5 (6) | O8i—Ti4—Ti4viii | 37.1 (10) |
O8i—Ba1—O1 | 142.4 (11) | Ti4v—Ti4—Ti4viii | 166.1 (8) |
O6—Ba1—O1 | 74.7 (9) | O6v—Ti4—Sr1 | 128.8 (9) |
O9ii—Ba1—O1 | 52.3 (9) | O8v—Ti4—Sr1 | 122.5 (13) |
O11—Ba1—O1 | 52.1 (7) | O4—Ti4—Sr1 | 59.3 (7) |
O9—Ba1—O1 | 117.1 (9) | O9ix—Ti4—Sr1 | 103.5 (8) |
OW1—Ba1—O1 | 72.9 (6) | O6—Ti4—Sr1 | 48.6 (8) |
O12i—Ba1—O1 | 116.9 (9) | O8i—Ti4—Sr1 | 48.6 (11) |
O6iii—Ba1—O1 | 100.6 (8) | Ti4v—Ti4—Sr1 | 83.7 (4) |
O4—Ba1—O1 | 100.1 (8) | Ti4viii—Ti4—Sr1 | 83.3 (4) |
O8i—Ba1—O1i | 71.9 (11) | O6v—Ti4—Ba1 | 128.8 (9) |
O6—Ba1—O1i | 140.2 (8) | O8v—Ti4—Ba1 | 122.5 (13) |
O9ii—Ba1—O1i | 117.9 (9) | O4—Ti4—Ba1 | 59.3 (7) |
O11—Ba1—O1i | 116.1 (10) | O9ix—Ti4—Ba1 | 103.5 (8) |
O9—Ba1—O1i | 52.1 (8) | O6—Ti4—Ba1 | 48.6 (8) |
OW1—Ba1—O1i | 71.7 (6) | O8i—Ti4—Ba1 | 48.6 (11) |
O12i—Ba1—O1i | 51.3 (7) | Ti4v—Ti4—Ba1 | 83.7 (4) |
O6iii—Ba1—O1i | 99.1 (8) | Ti4viii—Ti4—Ba1 | 83.3 (4) |
O4—Ba1—O1i | 95.9 (7) | Sr1—Ti4—Ba1 | 0.00 (19) |
O1—Ba1—O1i | 144.5 (11) | O6v—Ti4—Ba1ix | 48.9 (9) |
O8i—Ba1—Ti4 | 37.7 (9) | O8v—Ti4—Ba1ix | 92.0 (13) |
O6—Ba1—Ti4 | 36.1 (6) | O4—Ti4—Ba1ix | 151.9 (8) |
O9ii—Ba1—Ti4 | 124.6 (6) | O9ix—Ti4—Ba1ix | 46.4 (9) |
O11—Ba1—Ti4 | 83.5 (6) | O6—Ti4—Ba1ix | 93.4 (8) |
O9—Ba1—Ti4 | 126.6 (6) | O8i—Ti4—Ba1ix | 129.3 (12) |
OW1—Ba1—Ti4 | 156.0 (10) | Ti4v—Ti4—Ba1ix | 71.6 (3) |
O12i—Ba1—Ti4 | 84.2 (5) | Ti4viii—Ti4—Ba1ix | 115.8 (3) |
O6iii—Ba1—Ti4 | 83.3 (5) | Sr1—Ti4—Ba1ix | 137.7 (3) |
O4—Ba1—Ti4 | 35.4 (4) | Ba1—Ti4—Ba1ix | 137.7 (3) |
O1—Ba1—Ti4 | 105.3 (6) | O6v—Ti4—Sr1ix | 48.9 (9) |
O1i—Ba1—Ti4 | 106.1 (6) | O8v—Ti4—Sr1ix | 92.0 (13) |
O8i—Sr1—O6 | 68.3 (11) | O4—Ti4—Sr1ix | 151.9 (8) |
O8i—Sr1—O9ii | 132.5 (11) | O9ix—Ti4—Sr1ix | 46.4 (9) |
O6—Sr1—O9ii | 90.4 (9) | O6—Ti4—Sr1ix | 93.4 (8) |
O8i—Sr1—O11 | 112.5 (10) | O8i—Ti4—Sr1ix | 129.3 (12) |
O6—Sr1—O11 | 79.4 (10) | Ti4v—Ti4—Sr1ix | 71.6 (3) |
O9ii—Sr1—O11 | 103.8 (8) | Ti4viii—Ti4—Sr1ix | 115.8 (3) |
O8i—Sr1—O9 | 92.4 (11) | Sr1—Ti4—Sr1ix | 137.7 (3) |
O6—Sr1—O9 | 129.7 (8) | Ba1—Ti4—Sr1ix | 137.7 (3) |
O9ii—Sr1—O9 | 68.7 (12) | Ba1ix—Ti4—Sr1ix | 0.00 (15) |
O11—Sr1—O9 | 148.5 (9) | O9x—Si1—O9 | 121 (2) |
O8i—Sr1—OW1 | 142.5 (10) | O9x—Si1—O1ii | 106.4 (15) |
O6—Sr1—OW1 | 147.2 (7) | O9—Si1—O1ii | 102.7 (15) |
O9ii—Sr1—OW1 | 74.0 (10) | O9x—Si1—O1i | 102.7 (15) |
O11—Sr1—OW1 | 76.7 (11) | O9—Si1—O1i | 106.4 (15) |
O9—Sr1—OW1 | 71.9 (10) | O1ii—Si1—O1i | 119 (3) |
O8i—Sr1—O12i | 74.7 (12) | O9x—Si1—Sr1ii | 139.1 (12) |
O6—Sr1—O12i | 115.0 (6) | O9—Si1—Sr1ii | 44.1 (10) |
O9ii—Sr1—O12i | 149.9 (9) | O1ii—Si1—Sr1ii | 59.5 (12) |
O11—Sr1—O12i | 68.1 (7) | O1i—Si1—Sr1ii | 117.9 (13) |
O9—Sr1—O12i | 102.5 (7) | O9x—Si1—Ba1ii | 139.1 (12) |
OW1—Sr1—O12i | 75.9 (10) | O9—Si1—Ba1ii | 44.1 (10) |
O8i—Sr1—O6iii | 73.7 (11) | O1ii—Si1—Ba1ii | 59.5 (12) |
O6—Sr1—O6iii | 70.7 (9) | O1i—Si1—Ba1ii | 117.9 (13) |
O9ii—Sr1—O6iii | 59.1 (8) | Sr1ii—Si1—Ba1ii | 0.00 (13) |
O11—Sr1—O6iii | 144.6 (10) | O9x—Si1—Ba1i | 44.1 (10) |
O9—Sr1—O6iii | 59.2 (7) | O9—Si1—Ba1i | 139.1 (12) |
OW1—Sr1—O6iii | 120.7 (11) | O1ii—Si1—Ba1i | 117.9 (13) |
O12i—Sr1—O6iii | 142.4 (9) | O1i—Si1—Ba1i | 59.5 (12) |
O8i—Sr1—O4 | 55.5 (10) | Sr1ii—Si1—Ba1i | 175.6 (7) |
O6—Sr1—O4 | 60.4 (7) | Ba1ii—Si1—Ba1i | 175.6 (7) |
O9ii—Sr1—O4 | 146.2 (9) | O9x—Si1—Sr1i | 44.1 (10) |
O11—Sr1—O4 | 57.0 (5) | O9—Si1—Sr1i | 139.1 (12) |
O9—Sr1—O4 | 142.7 (8) | O1ii—Si1—Sr1i | 117.9 (13) |
OW1—Sr1—O4 | 120.6 (11) | O1i—Si1—Sr1i | 59.5 (12) |
O12i—Sr1—O4 | 54.6 (6) | Sr1ii—Si1—Sr1i | 175.6 (7) |
O6iii—Sr1—O4 | 118.5 (6) | Ba1ii—Si1—Sr1i | 175.6 (7) |
O8i—Sr1—O1 | 142.4 (11) | Ba1i—Si1—Sr1i | 0.00 (8) |
O6—Sr1—O1 | 74.7 (9) | O9x—Si1—Ba1 | 135.3 (11) |
O9ii—Sr1—O1 | 52.3 (9) | O9—Si1—Ba1 | 47.6 (10) |
O11—Sr1—O1 | 52.1 (7) | O1ii—Si1—Ba1 | 118.1 (13) |
O9—Sr1—O1 | 117.1 (9) | O1i—Si1—Ba1 | 59.3 (12) |
OW1—Sr1—O1 | 72.9 (6) | Sr1ii—Si1—Ba1 | 69.41 (11) |
O12i—Sr1—O1 | 116.9 (9) | Ba1ii—Si1—Ba1 | 69.41 (11) |
O6iii—Sr1—O1 | 100.6 (8) | Ba1i—Si1—Ba1 | 110.41 (12) |
O4—Sr1—O1 | 100.1 (8) | Sr1i—Si1—Ba1 | 110.41 (12) |
O8i—Sr1—O1i | 71.9 (11) | O9x—Si1—Sr1 | 135.3 (11) |
O6—Sr1—O1i | 140.2 (8) | O9—Si1—Sr1 | 47.6 (10) |
O9ii—Sr1—O1i | 117.9 (9) | O1ii—Si1—Sr1 | 118.1 (13) |
O11—Sr1—O1i | 116.1 (10) | O1i—Si1—Sr1 | 59.3 (12) |
O9—Sr1—O1i | 52.1 (8) | Sr1ii—Si1—Sr1 | 69.41 (11) |
OW1—Sr1—O1i | 71.7 (6) | Ba1ii—Si1—Sr1 | 69.41 (11) |
O12i—Sr1—O1i | 51.3 (7) | Ba1i—Si1—Sr1 | 110.41 (12) |
O6iii—Sr1—O1i | 99.1 (8) | Sr1i—Si1—Sr1 | 110.41 (12) |
O4—Sr1—O1i | 95.9 (7) | Ba1—Si1—Sr1 | 0.00 (9) |
O1—Sr1—O1i | 144.5 (11) | O9x—Si1—Sr1x | 47.6 (10) |
O8i—Sr1—Ti4 | 37.7 (9) | O9—Si1—Sr1x | 135.3 (11) |
O6—Sr1—Ti4 | 36.1 (6) | O1ii—Si1—Sr1x | 59.3 (12) |
O9ii—Sr1—Ti4 | 124.6 (6) | O1i—Si1—Sr1x | 118.1 (13) |
O11—Sr1—Ti4 | 83.5 (6) | Sr1ii—Si1—Sr1x | 110.41 (12) |
O9—Sr1—Ti4 | 126.6 (6) | Ba1ii—Si1—Sr1x | 110.41 (12) |
OW1—Sr1—Ti4 | 156.0 (10) | Ba1i—Si1—Sr1x | 69.41 (11) |
O12i—Sr1—Ti4 | 84.2 (5) | Sr1i—Si1—Sr1x | 69.41 (11) |
O6iii—Sr1—Ti4 | 83.3 (5) | Ba1—Si1—Sr1x | 175.6 (7) |
O4—Sr1—Ti4 | 35.4 (4) | Sr1—Si1—Sr1x | 175.6 (7) |
O1—Sr1—Ti4 | 105.3 (6) | O9x—Si1—Ba1x | 47.6 (10) |
O1i—Sr1—Ti4 | 106.1 (6) | O9—Si1—Ba1x | 135.3 (11) |
O7i—Ba2—O10 | 89.2 (10) | O1ii—Si1—Ba1x | 59.3 (12) |
O7i—Ba2—O5 | 66.8 (12) | O1i—Si1—Ba1x | 118.1 (13) |
O10—Ba2—O5 | 130.9 (9) | Sr1ii—Si1—Ba1x | 110.41 (12) |
O7i—Ba2—O11 | 112.3 (10) | Ba1ii—Si1—Ba1x | 110.41 (12) |
O10—Ba2—O11 | 151.2 (9) | Ba1i—Si1—Ba1x | 69.41 (11) |
O5—Ba2—O11 | 76.9 (11) | Sr1i—Si1—Ba1x | 69.41 (11) |
O7i—Ba2—O12i | 75.1 (12) | Ba1—Si1—Ba1x | 175.6 (7) |
O10—Ba2—O12i | 101.6 (7) | Sr1—Si1—Ba1x | 175.6 (7) |
O5—Ba2—O12i | 111.6 (8) | Sr1x—Si1—Ba1x | 0.00 (8) |
O11—Ba2—O12i | 68.0 (7) | O2—Si2—O11 | 108 (2) |
O7i—Ba2—O10ii | 132.6 (10) | O2—Si2—O12 | 111 (2) |
O10—Ba2—O10ii | 69.9 (11) | O11—Si2—O12 | 116.0 (7) |
O5—Ba2—O10ii | 94.9 (9) | O2—Si2—O1 | 106.8 (11) |
O11—Ba2—O10ii | 104.6 (7) | O11—Si2—O1 | 107 (2) |
O12i—Ba2—O10ii | 149.0 (8) | O12—Si2—O1 | 107 (2) |
O7i—Ba2—OW1 | 143.3 (9) | O2—Si2—Sr1 | 111.4 (12) |
O10—Ba2—OW1 | 76.6 (9) | O11—Si2—Sr1 | 48.7 (17) |
O5—Ba2—OW1 | 145.5 (9) | O12—Si2—Sr1 | 137.2 (18) |
O11—Ba2—OW1 | 74.7 (10) | O1—Si2—Sr1 | 58.9 (13) |
O12i—Ba2—OW1 | 75.0 (10) | O2—Si2—Ba1 | 111.4 (12) |
O10ii—Ba2—OW1 | 74.0 (9) | O11—Si2—Ba1 | 48.7 (17) |
O7i—Ba2—O5iv | 75.0 (11) | O12—Si2—Ba1 | 137.2 (18) |
O10—Ba2—O5iv | 56.2 (8) | O1—Si2—Ba1 | 58.9 (13) |
O5—Ba2—O5iv | 75.9 (11) | Sr1—Si2—Ba1 | 0.00 (18) |
O11—Ba2—O5iv | 145.8 (11) | O2—Si2—Ba2 | 58.8 (12) |
O12i—Ba2—O5iv | 142.6 (11) | O11—Si2—Ba2 | 49.6 (17) |
O10ii—Ba2—O5iv | 57.9 (8) | O12—Si2—Ba2 | 135.6 (18) |
OW1—Ba2—O5iv | 120.4 (11) | O1—Si2—Ba2 | 117.1 (12) |
O7i—Ba2—O2 | 145.3 (11) | Sr1—Si2—Ba2 | 70.77 (13) |
O10—Ba2—O2 | 118.7 (9) | Ba1—Si2—Ba2 | 70.77 (13) |
O5—Ba2—O2 | 78.8 (10) | O2—Si2—Sr2 | 58.8 (12) |
O11—Ba2—O2 | 51.8 (7) | O11—Si2—Sr2 | 49.6 (17) |
O12i—Ba2—O2 | 115.0 (9) | O12—Si2—Sr2 | 135.6 (18) |
O10ii—Ba2—O2 | 53.1 (8) | O1—Si2—Sr2 | 117.1 (12) |
OW1—Ba2—O2 | 68.3 (5) | Sr1—Si2—Sr2 | 70.77 (13) |
O5iv—Ba2—O2 | 102.4 (9) | Ba1—Si2—Sr2 | 70.77 (13) |
O7i—Ba2—O3 | 57.0 (10) | Ba2—Si2—Sr2 | 0.00 (16) |
O10—Ba2—O3 | 142.5 (8) | O2—Si2—Sr1vi | 114.7 (11) |
O5—Ba2—O3 | 54.4 (9) | O11—Si2—Sr1vi | 137 (2) |
O11—Ba2—O3 | 55.3 (6) | O12—Si2—Sr1vi | 49.6 (15) |
O12i—Ba2—O3 | 57.2 (6) | O1—Si2—Sr1vi | 58.6 (13) |
O10ii—Ba2—O3 | 144.4 (8) | Sr1—Si2—Sr1vi | 109.5 (5) |
OW1—Ba2—O3 | 119.6 (11) | Ba1—Si2—Sr1vi | 109.5 (5) |
O5iv—Ba2—O3 | 120.1 (8) | Ba2—Si2—Sr1vi | 171.95 (17) |
O2—Ba2—O3 | 98.8 (7) | Sr2—Si2—Sr1vi | 171.95 (17) |
O7i—Ba2—O2i | 76.4 (10) | O2—Si2—Ba1vi | 114.7 (11) |
O10—Ba2—O2i | 50.6 (8) | O11—Si2—Ba1vi | 137 (2) |
O5—Ba2—O2i | 142.9 (9) | O12—Si2—Ba1vi | 49.6 (15) |
O11—Ba2—O2i | 114.1 (9) | O1—Si2—Ba1vi | 58.6 (13) |
O12i—Ba2—O2i | 51.0 (6) | Sr1—Si2—Ba1vi | 109.5 (5) |
O10ii—Ba2—O2i | 114.5 (8) | Ba1—Si2—Ba1vi | 109.5 (5) |
OW1—Ba2—O2i | 68.5 (5) | Ba2—Si2—Ba1vi | 171.95 (17) |
O5iv—Ba2—O2i | 100.1 (9) | Sr2—Si2—Ba1vi | 171.95 (17) |
O2—Ba2—O2i | 136.8 (9) | Sr1vi—Si2—Ba1vi | 0.00 (10) |
O3—Ba2—O2i | 101.1 (7) | O2—Si2—Sr2vi | 63.3 (12) |
O7i—Ba2—Ti2 | 35.7 (8) | O11—Si2—Sr2vi | 137 (2) |
O10—Ba2—Ti2 | 122.2 (6) | O12—Si2—Sr2vi | 48.5 (15) |
O5—Ba2—Ti2 | 35.6 (8) | O1—Si2—Sr2vi | 115.8 (12) |
O11—Ba2—Ti2 | 84.2 (6) | Sr1—Si2—Sr2vi | 171.96 (16) |
O12i—Ba2—Ti2 | 83.0 (6) | Ba1—Si2—Sr2vi | 171.96 (16) |
O10ii—Ba2—Ti2 | 127.3 (6) | Ba2—Si2—Sr2vi | 109.1 (5) |
OW1—Ba2—Ti2 | 153.9 (10) | Sr2—Si2—Sr2vi | 109.1 (5) |
O5iv—Ba2—Ti2 | 85.7 (6) | Sr1vi—Si2—Sr2vi | 69.50 (12) |
O2—Ba2—Ti2 | 110.1 (6) | Ba1vi—Si2—Sr2vi | 69.50 (12) |
O3—Ba2—Ti2 | 34.4 (5) | O2—Si2—Ba2vi | 63.3 (12) |
O2i—Ba2—Ti2 | 107.9 (6) | O11—Si2—Ba2vi | 137 (2) |
O7i—Sr2—O10 | 89.2 (10) | O12—Si2—Ba2vi | 48.5 (15) |
O7i—Sr2—O5 | 66.8 (12) | O1—Si2—Ba2vi | 115.8 (12) |
O10—Sr2—O5 | 130.9 (9) | Sr1—Si2—Ba2vi | 171.96 (16) |
O7i—Sr2—O11 | 112.3 (10) | Ba1—Si2—Ba2vi | 171.96 (16) |
O10—Sr2—O11 | 151.2 (9) | Ba2—Si2—Ba2vi | 109.1 (5) |
O5—Sr2—O11 | 76.9 (11) | Sr2—Si2—Ba2vi | 109.1 (5) |
O7i—Sr2—O12i | 75.1 (12) | Sr1vi—Si2—Ba2vi | 69.50 (12) |
O10—Sr2—O12i | 101.6 (7) | Ba1vi—Si2—Ba2vi | 69.50 (12) |
O5—Sr2—O12i | 111.6 (8) | Sr2vi—Si2—Ba2vi | 0.00 (11) |
O11—Sr2—O12i | 68.0 (7) | O10—Si3—O10x | 118 (2) |
O7i—Sr2—O10ii | 132.6 (10) | O10—Si3—O2i | 106.6 (14) |
O10—Sr2—O10ii | 69.9 (11) | O10x—Si3—O2i | 111.2 (15) |
O5—Sr2—O10ii | 94.9 (9) | O10—Si3—O2ii | 111.2 (15) |
O11—Sr2—O10ii | 104.6 (7) | O10x—Si3—O2ii | 106.6 (14) |
O12i—Sr2—O10ii | 149.0 (8) | O2i—Si3—O2ii | 102 (2) |
O7i—Sr2—OW1 | 143.3 (9) | O10—Si3—Sr2ii | 51.4 (9) |
O10—Sr2—OW1 | 76.6 (9) | O10x—Si3—Sr2ii | 131.8 (11) |
O5—Sr2—OW1 | 145.5 (9) | O2i—Si3—Sr2ii | 116.8 (12) |
O11—Sr2—OW1 | 74.7 (10) | O2ii—Si3—Sr2ii | 59.8 (11) |
O12i—Sr2—OW1 | 75.0 (10) | O10—Si3—Ba2ii | 51.4 (9) |
O10ii—Sr2—OW1 | 74.0 (9) | O10x—Si3—Ba2ii | 131.8 (11) |
O7i—Sr2—O5iv | 75.0 (11) | O2i—Si3—Ba2ii | 116.8 (12) |
O10—Sr2—O5iv | 56.2 (8) | O2ii—Si3—Ba2ii | 59.8 (11) |
O5—Sr2—O5iv | 75.9 (11) | Sr2ii—Si3—Ba2ii | 0.0 (2) |
O11—Sr2—O5iv | 145.8 (11) | O10—Si3—Ba2i | 131.8 (11) |
O12i—Sr2—O5iv | 142.6 (11) | O10x—Si3—Ba2i | 51.4 (9) |
O10ii—Sr2—O5iv | 57.9 (8) | O2i—Si3—Ba2i | 59.8 (11) |
OW1—Sr2—O5iv | 120.4 (11) | O2ii—Si3—Ba2i | 116.8 (12) |
O7i—Sr2—O2 | 145.3 (11) | Sr2ii—Si3—Ba2i | 175.3 (8) |
O10—Sr2—O2 | 118.7 (9) | Ba2ii—Si3—Ba2i | 175.3 (8) |
O5—Sr2—O2 | 78.8 (10) | O10—Si3—Sr2i | 131.8 (11) |
O11—Sr2—O2 | 51.8 (7) | O10x—Si3—Sr2i | 51.4 (9) |
O12i—Sr2—O2 | 115.0 (9) | O2i—Si3—Sr2i | 59.8 (11) |
O10ii—Sr2—O2 | 53.1 (8) | O2ii—Si3—Sr2i | 116.8 (12) |
OW1—Sr2—O2 | 68.3 (5) | Sr2ii—Si3—Sr2i | 175.3 (8) |
O5iv—Sr2—O2 | 102.4 (9) | Ba2ii—Si3—Sr2i | 175.3 (8) |
O7i—Sr2—O3 | 57.0 (10) | Ba2i—Si3—Sr2i | 0.00 (17) |
O10—Sr2—O3 | 142.5 (8) | O10—Si3—Ba2x | 140.7 (12) |
O5—Sr2—O3 | 54.4 (9) | O10x—Si3—Ba2x | 43.0 (9) |
O11—Sr2—O3 | 55.3 (6) | O2i—Si3—Ba2x | 112.5 (12) |
O12i—Sr2—O3 | 57.2 (6) | O2ii—Si3—Ba2x | 64.3 (11) |
O10ii—Sr2—O3 | 144.4 (8) | Sr2ii—Si3—Ba2x | 110.44 (13) |
OW1—Sr2—O3 | 119.6 (11) | Ba2ii—Si3—Ba2x | 110.44 (13) |
O5iv—Sr2—O3 | 120.1 (8) | Ba2i—Si3—Ba2x | 69.35 (13) |
O2—Sr2—O3 | 98.8 (7) | Sr2i—Si3—Ba2x | 69.35 (13) |
O7i—Sr2—O2i | 76.4 (10) | O10—Si3—Sr2x | 140.7 (12) |
O10—Sr2—O2i | 50.6 (8) | O10x—Si3—Sr2x | 43.0 (9) |
O5—Sr2—O2i | 142.9 (9) | O2i—Si3—Sr2x | 112.5 (12) |
O11—Sr2—O2i | 114.1 (9) | O2ii—Si3—Sr2x | 64.3 (11) |
O12i—Sr2—O2i | 51.0 (6) | Sr2ii—Si3—Sr2x | 110.44 (13) |
O10ii—Sr2—O2i | 114.5 (8) | Ba2ii—Si3—Sr2x | 110.44 (13) |
OW1—Sr2—O2i | 68.5 (5) | Ba2i—Si3—Sr2x | 69.35 (13) |
O5iv—Sr2—O2i | 100.1 (9) | Sr2i—Si3—Sr2x | 69.35 (13) |
O2—Sr2—O2i | 136.8 (9) | Ba2x—Si3—Sr2x | 0.00 (16) |
O3—Sr2—O2i | 101.1 (7) | O10—Si3—Sr2 | 43.0 (9) |
O7i—Sr2—Ti2 | 35.7 (8) | O10x—Si3—Sr2 | 140.7 (12) |
O10—Sr2—Ti2 | 122.2 (6) | O2i—Si3—Sr2 | 64.3 (11) |
O5—Sr2—Ti2 | 35.6 (8) | O2ii—Si3—Sr2 | 112.5 (12) |
O11—Sr2—Ti2 | 84.2 (6) | Sr2ii—Si3—Sr2 | 69.35 (13) |
O12i—Sr2—Ti2 | 83.0 (6) | Ba2ii—Si3—Sr2 | 69.35 (13) |
O10ii—Sr2—Ti2 | 127.3 (6) | Ba2i—Si3—Sr2 | 110.44 (13) |
OW1—Sr2—Ti2 | 153.9 (10) | Sr2i—Si3—Sr2 | 110.44 (13) |
O5iv—Sr2—Ti2 | 85.7 (6) | Ba2x—Si3—Sr2 | 175.3 (7) |
O2—Sr2—Ti2 | 110.1 (6) | Sr2x—Si3—Sr2 | 175.3 (7) |
O3—Sr2—Ti2 | 34.4 (5) | O10—Si3—Ba2 | 43.0 (9) |
O2i—Sr2—Ti2 | 107.9 (6) | O10x—Si3—Ba2 | 140.7 (12) |
O3v—Ti1—O3 | 91.4 (19) | O2i—Si3—Ba2 | 64.3 (11) |
O3v—Ti1—O11 | 87.5 (16) | O2ii—Si3—Ba2 | 112.5 (12) |
O3—Ti1—O11 | 92.0 (16) | Sr2ii—Si3—Ba2 | 69.35 (13) |
O3v—Ti1—O11v | 92.0 (16) | Ba2ii—Si3—Ba2 | 69.35 (13) |
O3—Ti1—O11v | 87.5 (16) | Ba2i—Si3—Ba2 | 110.44 (13) |
O11—Ti1—O11v | 179 (4) | Sr2i—Si3—Ba2 | 110.44 (13) |
O3v—Ti1—O4 | 172.9 (15) | Ba2x—Si3—Ba2 | 175.3 (7) |
O3—Ti1—O4 | 83.7 (6) | Sr2x—Si3—Ba2 | 175.3 (7) |
O11—Ti1—O4 | 87.5 (13) | Sr2—Si3—Ba2 | 0.00 (17) |
O11v—Ti1—O4 | 93.0 (14) | Si2—O1—Si1vi | 154 (2) |
O3v—Ti1—O4v | 83.7 (6) | Si2—O1—Sr1 | 94.1 (14) |
O3—Ti1—O4v | 172.9 (15) | Si1vi—O1—Sr1 | 93.0 (14) |
O11—Ti1—O4v | 93.0 (14) | Si2—O1—Ba1 | 94.1 (14) |
O11v—Ti1—O4v | 87.5 (13) | Si1vi—O1—Ba1 | 93.0 (14) |
O4—Ti1—O4v | 101.5 (16) | Sr1—O1—Ba1 | 0.0 (2) |
O3v—Ti1—Ti3vi | 43.8 (9) | Si2—O1—Ba1vi | 95.0 (14) |
O3—Ti1—Ti3vi | 135.2 (14) | Si1vi—O1—Ba1vi | 93.8 (14) |
O11—Ti1—Ti3vi | 86.9 (5) | Sr1—O1—Ba1vi | 144.5 (11) |
O11v—Ti1—Ti3vi | 93.1 (5) | Ba1—O1—Ba1vi | 144.5 (11) |
O4—Ti1—Ti3vi | 140.8 (13) | Si2—O1—Sr1vi | 95.0 (14) |
O4v—Ti1—Ti3vi | 40.2 (8) | Si1vi—O1—Sr1vi | 93.8 (14) |
O3v—Ti1—Ti3 | 135.2 (14) | Sr1—O1—Sr1vi | 144.5 (11) |
O3—Ti1—Ti3 | 43.8 (9) | Ba1—O1—Sr1vi | 144.5 (11) |
O11—Ti1—Ti3 | 93.1 (5) | Ba1vi—O1—Sr1vi | 0.0 (2) |
O11v—Ti1—Ti3 | 86.9 (5) | Si2—O2—Si3vi | 168 (2) |
O4—Ti1—Ti3 | 40.2 (8) | Si2—O2—Sr2 | 94.8 (13) |
O4v—Ti1—Ti3 | 140.8 (13) | Si3vi—O2—Sr2 | 93.3 (13) |
Ti3vi—Ti1—Ti3 | 179.0 (14) | Si2—O2—Ba2 | 94.8 (13) |
O3v—Ti1—Sr1v | 95.7 (9) | Si3vi—O2—Ba2 | 93.3 (13) |
O3—Ti1—Sr1v | 128.0 (9) | Sr2—O2—Ba2 | 0.00 (18) |
O11—Ti1—Sr1v | 139.6 (15) | Si2—O2—Ba2vi | 90.7 (13) |
O11v—Ti1—Sr1v | 41.0 (14) | Si3vi—O2—Ba2vi | 89.1 (12) |
O4—Ti1—Sr1v | 91.3 (9) | Sr2—O2—Ba2vi | 136.8 (9) |
O4v—Ti1—Sr1v | 47.8 (7) | Ba2—O2—Ba2vi | 136.8 (9) |
Ti3vi—Ti1—Sr1v | 69.1 (3) | Si2—O2—Sr2vi | 90.7 (13) |
Ti3—Ti1—Sr1v | 111.4 (4) | Si3vi—O2—Sr2vi | 89.1 (12) |
O3v—Ti1—Ba1v | 95.7 (9) | Sr2—O2—Sr2vi | 136.8 (9) |
O3—Ti1—Ba1v | 128.0 (9) | Ba2—O2—Sr2vi | 136.8 (9) |
O11—Ti1—Ba1v | 139.6 (15) | Ba2vi—O2—Sr2vi | 0.0 (2) |
O11v—Ti1—Ba1v | 41.0 (14) | Ti1—O3—Ti2 | 137.3 (16) |
O4—Ti1—Ba1v | 91.3 (9) | Ti1—O3—Ti3 | 96.2 (12) |
O4v—Ti1—Ba1v | 47.8 (7) | Ti2—O3—Ti3 | 125.9 (15) |
Ti3vi—Ti1—Ba1v | 69.1 (3) | Ti1—O3—Ba2 | 100.8 (11) |
Ti3—Ti1—Ba1v | 111.4 (4) | Ti2—O3—Ba2 | 81.9 (9) |
Sr1v—Ti1—Ba1v | 0.00 (13) | Ti3—O3—Ba2 | 97.8 (11) |
O3v—Ti1—Sr1 | 128.0 (9) | Ti1—O3—Sr2 | 100.8 (11) |
O3—Ti1—Sr1 | 95.7 (9) | Ti2—O3—Sr2 | 81.9 (9) |
O11—Ti1—Sr1 | 41.0 (14) | Ti3—O3—Sr2 | 97.8 (11) |
O11v—Ti1—Sr1 | 139.6 (15) | Ba2—O3—Sr2 | 0.0 (2) |
O4—Ti1—Sr1 | 47.8 (7) | Ti3—O4—Ti1 | 97.2 (11) |
O4v—Ti1—Sr1 | 91.3 (9) | Ti3—O4—Ti4 | 134.4 (13) |
Ti3vi—Ti1—Sr1 | 111.4 (4) | Ti1—O4—Ti4 | 123.4 (14) |
Ti3—Ti1—Sr1 | 69.1 (3) | Ti3—O4—Sr1 | 106.9 (10) |
Sr1v—Ti1—Sr1 | 118.3 (6) | Ti1—O4—Sr1 | 102.7 (8) |
Ba1v—Ti1—Sr1 | 118.3 (6) | Ti4—O4—Sr1 | 85.3 (8) |
O3v—Ti1—Ba1 | 128.0 (9) | Ti3—O4—Ba1 | 106.9 (10) |
O3—Ti1—Ba1 | 95.7 (9) | Ti1—O4—Ba1 | 102.7 (8) |
O11—Ti1—Ba1 | 41.0 (14) | Ti4—O4—Ba1 | 85.3 (8) |
O11v—Ti1—Ba1 | 139.6 (15) | Sr1—O4—Ba1 | 0.00 (16) |
O4—Ti1—Ba1 | 47.8 (7) | Ti2v—O5—Ti2 | 102.7 (15) |
O4v—Ti1—Ba1 | 91.3 (9) | Ti2v—O5—Ba2 | 146.5 (18) |
Ti3vi—Ti1—Ba1 | 111.4 (4) | Ti2—O5—Ba2 | 94.7 (14) |
Ti3—Ti1—Ba1 | 69.1 (3) | Ti2v—O5—Sr2 | 146.5 (18) |
Sr1v—Ti1—Ba1 | 118.3 (6) | Ti2—O5—Sr2 | 94.7 (14) |
Ba1v—Ti1—Ba1 | 118.3 (6) | Ba2—O5—Sr2 | 0.0 (2) |
Sr1—Ti1—Ba1 | 0.00 (16) | Ti2v—O5—Ba2iv | 100.5 (15) |
O5v—Ti2—O7v | 110.1 (15) | Ti2—O5—Ba2iv | 101.0 (13) |
O5v—Ti2—O10vii | 92.4 (14) | Ba2—O5—Ba2iv | 104.1 (11) |
O7v—Ti2—O10vii | 89.9 (16) | Sr2—O5—Ba2iv | 104.1 (11) |
O5v—Ti2—O3 | 91.6 (15) | Ti2v—O5—Sr2iv | 100.5 (15) |
O7v—Ti2—O3 | 95.3 (16) | Ti2—O5—Sr2iv | 101.0 (13) |
O10vii—Ti2—O3 | 171.9 (13) | Ba2—O5—Sr2iv | 104.1 (11) |
O5v—Ti2—O5 | 77.3 (15) | Sr2—O5—Sr2iv | 104.1 (11) |
O7v—Ti2—O5 | 172.6 (17) | Ba2iv—O5—Sr2iv | 0.0 (2) |
O10vii—Ti2—O5 | 89.8 (13) | Ti4v—O6—Ti4 | 92.8 (11) |
O3—Ti2—O5 | 84.2 (13) | Ti4v—O6—Ba1 | 143.9 (14) |
O5v—Ti2—O7i | 167.2 (17) | Ti4—O6—Ba1 | 95.3 (11) |
O7v—Ti2—O7i | 82.7 (16) | Ti4v—O6—Sr1 | 143.9 (14) |
O10vii—Ti2—O7i | 87.5 (15) | Ti4—O6—Sr1 | 95.3 (11) |
O3—Ti2—O7i | 87.0 (15) | Ba1—O6—Sr1 | 0.0 (2) |
O5—Ti2—O7i | 89.8 (15) | Ti4v—O6—Ba1iii | 103.0 (11) |
O5v—Ti2—Ti2viii | 154.3 (12) | Ti4—O6—Ba1iii | 102.9 (10) |
O7v—Ti2—Ti2viii | 44.2 (12) | Ba1—O6—Ba1iii | 109.3 (9) |
O10vii—Ti2—Ti2viii | 87.0 (10) | Sr1—O6—Ba1iii | 109.3 (9) |
O3—Ti2—Ti2viii | 92.4 (9) | Ti4v—O6—Sr1iii | 103.0 (11) |
O5—Ti2—Ti2viii | 128.3 (12) | Ti4—O6—Sr1iii | 102.9 (10) |
O7i—Ti2—Ti2viii | 38.5 (10) | Ba1—O6—Sr1iii | 109.3 (9) |
O5v—Ti2—Ti2v | 42.2 (11) | Sr1—O6—Sr1iii | 109.3 (9) |
O7v—Ti2—Ti2v | 152.3 (13) | Ba1iii—O6—Sr1iii | 0.00 (17) |
O10vii—Ti2—Ti2v | 92.4 (10) | Ti2v—O7—Ti2vi | 97.3 (16) |
O3—Ti2—Ti2v | 85.8 (9) | Ti2v—O7—Ba2vi | 150 (2) |
O5—Ti2—Ti2v | 35.1 (10) | Ti2vi—O7—Ba2vi | 97.3 (15) |
O7i—Ti2—Ti2v | 124.9 (12) | Ti2v—O7—Sr2vi | 150 (2) |
Ti2viii—Ti2—Ti2v | 163.4 (8) | Ti2vi—O7—Sr2vi | 97.3 (15) |
O5v—Ti2—Sr2 | 121.5 (11) | Ba2vi—O7—Sr2vi | 0.0 (2) |
O7v—Ti2—Sr2 | 123.5 (13) | Ti4v—O8—Ti4vi | 100.0 (16) |
O10vii—Ti2—Sr2 | 108.2 (8) | Ti4v—O8—Ba1vi | 152 (2) |
O3—Ti2—Sr2 | 63.7 (9) | Ti4vi—O8—Ba1vi | 93.7 (15) |
O5—Ti2—Sr2 | 49.7 (10) | Ti4v—O8—Sr1vi | 152 (2) |
O7i—Ti2—Sr2 | 46.9 (11) | Ti4vi—O8—Sr1vi | 93.7 (15) |
Ti2viii—Ti2—Sr2 | 82.8 (4) | Ba1vi—O8—Sr1vi | 0.0 (2) |
Ti2v—Ti2—Sr2 | 81.7 (4) | Si1—O9—Ti4xi | 122.5 (19) |
O5v—Ti2—Ba2 | 121.5 (11) | Si1—O9—Sr1ii | 110.6 (13) |
O7v—Ti2—Ba2 | 123.5 (13) | Ti4xi—O9—Sr1ii | 113.9 (13) |
O10vii—Ti2—Ba2 | 108.2 (8) | Si1—O9—Ba1ii | 110.6 (13) |
O3—Ti2—Ba2 | 63.7 (9) | Ti4xi—O9—Ba1ii | 113.9 (13) |
O5—Ti2—Ba2 | 49.7 (10) | Sr1ii—O9—Ba1ii | 0.00 (15) |
O7i—Ti2—Ba2 | 46.9 (11) | Si1—O9—Sr1 | 107.0 (13) |
Ti2viii—Ti2—Ba2 | 82.8 (4) | Ti4xi—O9—Sr1 | 101.7 (11) |
Ti2v—Ti2—Ba2 | 81.7 (4) | Sr1ii—O9—Sr1 | 97.3 (10) |
Sr2—Ti2—Ba2 | 0.00 (15) | Ba1ii—O9—Sr1 | 97.3 (10) |
O5v—Ti2—Sr2vii | 52.3 (11) | Si1—O9—Ba1 | 107.0 (13) |
O7v—Ti2—Sr2vii | 93.1 (13) | Ti4xi—O9—Ba1 | 101.7 (11) |
O10vii—Ti2—Sr2vii | 41.9 (8) | Sr1ii—O9—Ba1 | 97.3 (10) |
O3—Ti2—Sr2vii | 143.4 (10) | Ba1ii—O9—Ba1 | 97.3 (10) |
O5—Ti2—Sr2vii | 91.7 (10) | Sr1—O9—Ba1 | 0.00 (18) |
O7i—Ti2—Sr2vii | 129.4 (12) | Si3—O10—Ti2xii | 124.0 (19) |
Ti2viii—Ti2—Sr2vii | 117.6 (3) | Si3—O10—Sr2 | 112.7 (13) |
Ti2v—Ti2—Sr2vii | 71.0 (3) | Ti2xii—O10—Sr2 | 108.2 (11) |
Sr2—Ti2—Sr2vii | 135.8 (3) | Si3—O10—Ba2 | 112.7 (13) |
Ba2—Ti2—Sr2vii | 135.8 (3) | Ti2xii—O10—Ba2 | 108.2 (11) |
O5v—Ti2—Ba2vii | 52.3 (11) | Sr2—O10—Ba2 | 0.0 (2) |
O7v—Ti2—Ba2vii | 93.1 (13) | Si3—O10—Ba2ii | 102.5 (12) |
O10vii—Ti2—Ba2vii | 41.9 (8) | Ti2xii—O10—Ba2ii | 110.1 (12) |
O3—Ti2—Ba2vii | 143.4 (10) | Sr2—O10—Ba2ii | 95.3 (9) |
O5—Ti2—Ba2vii | 91.7 (10) | Ba2—O10—Ba2ii | 95.3 (9) |
O7i—Ti2—Ba2vii | 129.4 (12) | Si3—O10—Sr2ii | 102.5 (12) |
Ti2viii—Ti2—Ba2vii | 117.6 (3) | Ti2xii—O10—Sr2ii | 110.1 (12) |
Ti2v—Ti2—Ba2vii | 71.0 (3) | Sr2—O10—Sr2ii | 95.3 (9) |
Sr2—Ti2—Ba2vii | 135.8 (3) | Ba2—O10—Sr2ii | 95.3 (9) |
Ba2—Ti2—Ba2vii | 135.8 (3) | Ba2ii—O10—Sr2ii | 0.0 (2) |
Sr2vii—Ti2—Ba2vii | 0.00 (8) | Si2—O11—Ti1 | 124.8 (9) |
O4—Ti3—O4viii | 94.8 (16) | Si2—O11—Ba1 | 106 (2) |
O4—Ti3—O12i | 87.6 (14) | Ti1—O11—Ba1 | 110.8 (18) |
O4viii—Ti3—O12i | 93.5 (14) | Si2—O11—Sr1 | 106 (2) |
O4—Ti3—O12v | 93.5 (14) | Ti1—O11—Sr1 | 110.8 (18) |
O4viii—Ti3—O12v | 87.6 (14) | Ba1—O11—Sr1 | 0.0 (2) |
O12i—Ti3—O12v | 178 (3) | Si2—O11—Ba2 | 105 (2) |
O4—Ti3—O3 | 82.4 (6) | Ti1—O11—Ba2 | 111.2 (18) |
O4viii—Ti3—O3 | 173.6 (14) | Ba1—O11—Ba2 | 95.2 (5) |
O12i—Ti3—O3 | 92.1 (14) | Sr1—O11—Ba2 | 95.2 (5) |
O12v—Ti3—O3 | 86.9 (14) | Si2—O11—Sr2 | 105 (2) |
O4—Ti3—O3viii | 173.6 (14) | Ti1—O11—Sr2 | 111.2 (18) |
O4viii—Ti3—O3viii | 82.4 (6) | Ba1—O11—Sr2 | 95.2 (5) |
O12i—Ti3—O3viii | 86.9 (14) | Sr1—O11—Sr2 | 95.2 (5) |
O12v—Ti3—O3viii | 92.1 (14) | Ba2—O11—Sr2 | 0.0 (2) |
O3—Ti3—O3viii | 100.9 (17) | Si2—O12—Ti3vi | 125.6 (9) |
O4—Ti3—Ti1 | 42.6 (8) | Si2—O12—Sr2vi | 106.4 (18) |
O4viii—Ti3—Ti1 | 136.4 (13) | Ti3vi—O12—Sr2vi | 111.5 (16) |
O12i—Ti3—Ti1 | 93.4 (5) | Si2—O12—Ba2vi | 106.4 (18) |
O12v—Ti3—Ti1 | 86.7 (5) | Ti3vi—O12—Ba2vi | 111.5 (16) |
O3—Ti3—Ti1 | 40.0 (9) | Sr2vi—O12—Ba2vi | 0.0 (2) |
O3viii—Ti3—Ti1 | 141.0 (13) | Si2—O12—Ba1vi | 105.1 (18) |
O4—Ti3—Ti1i | 136.4 (13) | Ti3vi—O12—Ba1vi | 110.1 (17) |
O4viii—Ti3—Ti1i | 42.6 (8) | Sr2vi—O12—Ba1vi | 93.1 (4) |
O12i—Ti3—Ti1i | 86.7 (5) | Ba2vi—O12—Ba1vi | 93.1 (4) |
O12v—Ti3—Ti1i | 93.4 (5) | Si2—O12—Sr1vi | 105.1 (18) |
O3—Ti3—Ti1i | 141.0 (13) | Ti3vi—O12—Sr1vi | 110.1 (17) |
O3viii—Ti3—Ti1i | 40.0 (9) | Sr2vi—O12—Sr1vi | 93.1 (4) |
Ti1—Ti3—Ti1i | 179.0 (14) | Ba2vi—O12—Sr1vi | 93.1 (4) |
O4—Ti3—Ba1viii | 89.9 (8) | Ba1vi—O12—Sr1vi | 0.0 (2) |
O4viii—Ti3—Ba1viii | 46.0 (7) | Sr1—OW1—Ba1 | 0.00 (17) |
O12i—Ti3—Ba1viii | 139.0 (14) | Sr1—OW1—Sr1ii | 91 (2) |
O12v—Ti3—Ba1viii | 42.2 (13) | Ba1—OW1—Sr1ii | 91 (2) |
O3—Ti3—Ba1viii | 128.1 (8) | Sr1—OW1—Ba1ii | 91 (2) |
O3viii—Ti3—Ba1viii | 92.2 (8) | Ba1—OW1—Ba1ii | 91 (2) |
Ti1—Ti3—Ba1viii | 111.8 (4) | Sr1ii—OW1—Ba1ii | 0.0 (2) |
Ti1i—Ti3—Ba1viii | 67.7 (3) | Sr1—OW1—Sr2ii | 178.2 (19) |
O4—Ti3—Sr1viii | 89.9 (8) | Ba1—OW1—Sr2ii | 178.2 (19) |
O4viii—Ti3—Sr1viii | 46.0 (7) | Sr1ii—OW1—Sr2ii | 90.91 (8) |
O12i—Ti3—Sr1viii | 139.0 (14) | Ba1ii—OW1—Sr2ii | 90.91 (8) |
O12v—Ti3—Sr1viii | 42.2 (13) | Sr1—OW1—Ba2ii | 178.2 (19) |
O3—Ti3—Sr1viii | 128.1 (8) | Ba1—OW1—Ba2ii | 178.2 (19) |
O3viii—Ti3—Sr1viii | 92.2 (8) | Sr1ii—OW1—Ba2ii | 90.91 (8) |
Ti1—Ti3—Sr1viii | 111.8 (4) | Ba1ii—OW1—Ba2ii | 90.91 (8) |
Ti1i—Ti3—Sr1viii | 67.7 (3) | Sr2ii—OW1—Ba2ii | 0.0 (2) |
Ba1viii—Ti3—Sr1viii | 0.00 (9) | Sr1—OW1—Sr2 | 90.91 (8) |
O4—Ti3—Sr1 | 46.0 (7) | Ba1—OW1—Sr2 | 90.91 (8) |
O4viii—Ti3—Sr1 | 89.9 (8) | Sr1ii—OW1—Sr2 | 178.2 (19) |
O12i—Ti3—Sr1 | 42.2 (13) | Ba1ii—OW1—Sr2 | 178.2 (19) |
O12v—Ti3—Sr1 | 139.0 (14) | Sr2ii—OW1—Sr2 | 87.3 (19) |
O3—Ti3—Sr1 | 92.2 (8) | Ba2ii—OW1—Sr2 | 87.3 (19) |
O3viii—Ti3—Sr1 | 128.1 (8) | Sr1—OW1—Ba2 | 90.91 (8) |
Ti1—Ti3—Sr1 | 67.7 (3) | Ba1—OW1—Ba2 | 90.91 (8) |
Ti1i—Ti3—Sr1 | 111.8 (4) | Sr1ii—OW1—Ba2 | 178.2 (19) |
Ba1viii—Ti3—Sr1 | 118.2 (5) | Ba1ii—OW1—Ba2 | 178.2 (19) |
Sr1viii—Ti3—Sr1 | 118.2 (5) | Sr2ii—OW1—Ba2 | 87.3 (19) |
O4—Ti3—Ba1 | 46.0 (7) | Ba2ii—OW1—Ba2 | 87.3 (19) |
O4viii—Ti3—Ba1 | 89.9 (8) | Sr2—OW1—Ba2 | 0.00 (12) |
Symmetry codes: (i) x+1, y, z; (ii) −x, y, −z−1/2; (iii) −x, −y, −z; (iv) −x, −y−1, −z; (v) −x, y, −z+1/2; (vi) x−1, y, z; (vii) x, −y−1, z+1/2; (viii) −x+1, y, −z+1/2; (ix) x, −y, z+1/2; (x) −x+1, y, −z−1/2; (xi) x, −y, z−1/2; (xii) x, −y−1, z−1/2. |