Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100009367/br1300sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270100009367/br1300Isup2.hkl |
Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL97 (Sheldrick, 1997); software used to prepare material for publication: SHELXTL97.
Rb3Ti3Te11 | F(000) = 2996 |
Mr = 1803.71 | Dx = 5.104 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 10.5757 (6) Å | Cell parameters from 14466 reflections |
b = 15.0449 (8) Å | θ = 1.9–28.0° |
c = 14.7710 (8) Å | µ = 20.56 mm−1 |
β = 92.954 (1)° | T = 153 K |
V = 2347.1 (2) Å3 | Needle, black |
Z = 4 | 0.15 × 0.02 × 0.02 mm |
Bruker Smart 1000 CDD diffractometer | 5422 independent reflections |
Radiation source: standard-focus sealed tube | 4676 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.033 |
ω scans | θmax = 28.0°, θmin = 1.9° |
Absorption correction: numerical face indexed | h = −9→13 |
Tmin = 0.321, Tmax = 0.511 | k = −19→19 |
14466 measured reflections | l = −18→15 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Primary atom site location: structure-invariant direct methods |
R[F2 > 2σ(F2)] = 0.028 | Secondary atom site location: difference Fourier map |
wR(F2) = 0.066 | w = 1/[1.00000 + (0.0400Fo2)2] |
S = 1.04 | (Δ/σ)max = 0.001 |
5422 reflections | Δρmax = 2.33 e Å−3 |
154 parameters | Δρmin = −1.89 e Å−3 |
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-ray data were collected on a Bruker Smart-1000 CCD system and processed with accompanying software (Bruker, 2000). The crystal-to-detector distance was 5.023 cm. Crystal decay was monitored by recollecting 50 initial frames at the end of data collection. Each exposure was 15 s and covered -0.3° in ω. Data were collected in groups of 606, 435, 230 frames at φ settings of 0°, 90°, and 180°. The structure was solved by direct methods and refined by least squares calculations (Sheldrick, 1997). |
x | y | z | Uiso*/Ueq | ||
Rb1 | 0.22720 (6) | 0.88028 (4) | 0.94126 (5) | 0.02286 (14) | |
Rb2 | 0.07671 (6) | 0.02884 (4) | 0.64715 (4) | 0.02243 (14) | |
Rb3 | 0.04867 (6) | 0.60968 (4) | 0.12268 (4) | 0.01974 (13) | |
Ti1 | 0.03002 (10) | 0.69799 (7) | 0.68106 (7) | 0.0118 (2) | |
Ti2 | 0.27666 (10) | 0.81231 (7) | 0.32332 (7) | 0.0123 (2) | |
Ti3 | 0.17981 (10) | 0.78428 (7) | 0.52232 (7) | 0.0127 (2) | |
Te1 | 0.23853 (4) | 0.94033 (3) | 0.45499 (3) | 0.01429 (9) | |
Te2 | 0.24997 (4) | 0.79162 (3) | 0.69629 (3) | 0.01615 (9) | |
Te3 | 0.40782 (4) | 0.69432 (3) | 0.05058 (3) | 0.01407 (9) | |
Te4 | 0.89663 (4) | 0.79841 (3) | 0.95807 (3) | 0.01462 (9) | |
Te5 | 0.36933 (4) | 0.03077 (3) | 0.77632 (3) | 0.01612 (9) | |
Te6 | 0.39242 (4) | 0.10429 (3) | 0.97551 (3) | 0.01427 (9) | |
Te7 | 0.87760 (4) | 0.84099 (3) | 0.73503 (3) | 0.01444 (9) | |
Te8 | 0.09577 (4) | 0.84976 (3) | 0.18370 (3) | 0.01563 (9) | |
Te9 | 0.33057 (4) | 0.93481 (2) | 0.18890 (3) | 0.01362 (9) | |
Te10 | 0.04068 (4) | 0.66280 (3) | 0.87110 (3) | 0.01487 (9) | |
Te11 | 0.55349 (4) | 0.78566 (3) | 0.86679 (3) | 0.01403 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Rb1 | 0.0214 (3) | 0.0248 (3) | 0.0226 (3) | −0.0057 (3) | 0.0034 (3) | 0.0022 (3) |
Rb2 | 0.0167 (3) | 0.0306 (3) | 0.0201 (3) | 0.0057 (2) | 0.0013 (3) | −0.0013 (3) |
Rb3 | 0.0181 (3) | 0.0203 (3) | 0.0210 (3) | 0.0023 (2) | 0.0035 (2) | 0.0003 (2) |
Ti1 | 0.0094 (5) | 0.0133 (5) | 0.0127 (5) | 0.0007 (4) | 0.0015 (4) | 0.0010 (4) |
Ti2 | 0.0105 (5) | 0.0145 (5) | 0.0120 (5) | 0.0003 (4) | 0.0014 (4) | 0.0009 (4) |
Ti3 | 0.0113 (5) | 0.0147 (5) | 0.0123 (5) | −0.0014 (4) | 0.0017 (4) | 0.0011 (4) |
Te1 | 0.01440 (18) | 0.01335 (19) | 0.0154 (2) | −0.00060 (14) | 0.00392 (16) | −0.00033 (15) |
Te2 | 0.01317 (18) | 0.0223 (2) | 0.01300 (19) | −0.00609 (15) | 0.00099 (16) | −0.00067 (16) |
Te3 | 0.01136 (18) | 0.01655 (19) | 0.0144 (2) | −0.00159 (14) | 0.00132 (15) | −0.00214 (15) |
Te4 | 0.01220 (18) | 0.0181 (2) | 0.0137 (2) | −0.00330 (15) | 0.00256 (15) | −0.00246 (15) |
Te5 | 0.01535 (19) | 0.0160 (2) | 0.0172 (2) | −0.00479 (15) | 0.00231 (16) | −0.00160 (15) |
Te6 | 0.01431 (19) | 0.01284 (19) | 0.0160 (2) | 0.00060 (14) | 0.00413 (16) | 0.00135 (15) |
Te7 | 0.01282 (18) | 0.01384 (19) | 0.0171 (2) | 0.00020 (14) | 0.00478 (16) | −0.00030 (15) |
Te8 | 0.01201 (18) | 0.0203 (2) | 0.0145 (2) | 0.00017 (15) | −0.00062 (15) | 0.00057 (16) |
Te9 | 0.01337 (18) | 0.01392 (19) | 0.01378 (19) | 0.00110 (14) | 0.00270 (15) | 0.00087 (14) |
Te10 | 0.01063 (18) | 0.0207 (2) | 0.01330 (19) | −0.00037 (15) | 0.00075 (15) | 0.00300 (15) |
Te11 | 0.01170 (18) | 0.0183 (2) | 0.01216 (19) | 0.00237 (14) | 0.00094 (15) | 0.00062 (15) |
Rb1—Te5i | 3.7012 (8) | Ti3—Te6xvii | 2.8143 (11) |
Rb1—Te3ii | 3.7101 (8) | Ti3—Te4xiii | 2.8162 (12) |
Rb1—Te4iii | 3.7270 (8) | Ti3—Te3xvi | 2.9454 (11) |
Rb1—Te6i | 3.8179 (8) | Ti3—Rb2i | 4.2817 (13) |
Rb1—Te9ii | 3.8518 (8) | Ti3—Rb3xix | 4.4005 (13) |
Rb1—Te2 | 3.8756 (8) | Te1—Rb2v | 3.6177 (8) |
Rb1—Te10 | 3.9319 (8) | Te1—Rb3xx | 3.6248 (7) |
Rb1—Te8ii | 3.9345 (8) | Te1—Rb2i | 3.6413 (8) |
Rb1—Te11 | 3.9415 (8) | Te1—Rb3xix | 4.0770 (8) |
Rb1—Te6iv | 4.1518 (8) | Te2—Rb3xix | 3.7040 (8) |
Rb1—Rb2i | 5.0685 (10) | Te2—Rb2i | 4.0602 (8) |
Rb1—Rb3ii | 5.2765 (9) | Te3—Ti1xviii | 2.7844 (11) |
Rb2—Te5 | 3.5510 (8) | Te3—Te7xiii | 2.8103 (6) |
Rb2—Te1v | 3.6177 (8) | Te3—Ti3xviii | 2.9454 (11) |
Rb2—Te1vi | 3.6413 (8) | Te3—Rb1xiv | 3.7101 (8) |
Rb2—Te8v | 3.6572 (8) | Te3—Rb2xx | 3.8476 (8) |
Rb2—Te7vii | 3.7932 (8) | Te3—Rb2xxi | 4.0293 (8) |
Rb2—Te3viii | 3.8476 (8) | Te4—Ti3xix | 2.8162 (12) |
Rb2—Te3ix | 4.0293 (8) | Te4—Ti2xix | 2.8435 (11) |
Rb2—Te2vi | 4.0602 (8) | Te4—Te10xxii | 2.8870 (6) |
Rb2—Te11x | 4.1034 (8) | Te4—Rb1xxii | 3.7270 (8) |
Rb2—Ti3vi | 4.2817 (13) | Te4—Rb3xxiii | 4.0196 (8) |
Rb2—Rb2xi | 4.6428 (13) | Te5—Ti1x | 2.7910 (11) |
Rb2—Rb1vi | 5.0685 (10) | Te5—Te10x | 3.1316 (6) |
Rb3—Te1viii | 3.6248 (7) | Te5—Te6 | 3.1411 (6) |
Rb3—Te5xii | 3.6954 (8) | Te5—Te9xxiv | 3.2306 (6) |
Rb3—Te2xiii | 3.7040 (7) | Te5—Rb3xxv | 3.6954 (8) |
Rb3—Te8 | 3.7498 (8) | Te5—Rb1vi | 3.7012 (8) |
Rb3—Te10xiv | 3.7978 (8) | Te6—Ti3x | 2.8143 (11) |
Rb3—Te7xiii | 3.8485 (8) | Te6—Ti1x | 2.8644 (11) |
Rb3—Te11xiii | 3.9324 (8) | Te6—Te11iv | 2.8909 (6) |
Rb3—Te9viii | 3.9915 (7) | Te6—Rb1vi | 3.8179 (8) |
Rb3—Te4xv | 4.0196 (8) | Te6—Rb1iv | 4.1518 (8) |
Rb3—Te1xiii | 4.0770 (8) | Te7—Te3xix | 2.8103 (6) |
Rb3—Te3 | 4.1953 (8) | Te7—Ti1xxii | 2.8275 (11) |
Rb3—Te10v | 4.2091 (8) | Te7—Ti2xix | 2.8815 (11) |
Ti1—Te2 | 2.7187 (11) | Te7—Rb2xxvi | 3.7932 (8) |
Ti1—Te3xvi | 2.7844 (11) | Te7—Rb3xix | 3.8485 (8) |
Ti1—Te5xvii | 2.7910 (11) | Te8—Te9 | 2.7910 (6) |
Ti1—Te7iii | 2.8275 (11) | Te8—Rb2v | 3.6572 (8) |
Ti1—Te10 | 2.8531 (11) | Te8—Rb1xiv | 3.9345 (8) |
Ti1—Te6xvii | 2.8644 (11) | Te9—Ti1xviii | 2.9121 (11) |
Ti1—Te9xvi | 2.9121 (11) | Te9—Te5xxiv | 3.2306 (6) |
Ti1—Ti3 | 3.1741 (15) | Te9—Rb1xiv | 3.8518 (8) |
Ti2—Te1 | 2.7813 (11) | Te9—Rb3xx | 3.9915 (7) |
Ti2—Te9 | 2.7893 (11) | Te10—Ti2xvi | 2.8691 (11) |
Ti2—Te8 | 2.7970 (11) | Te10—Te4iii | 2.8870 (6) |
Ti2—Te4xiii | 2.8435 (11) | Te10—Te5xvii | 3.1316 (6) |
Ti2—Te10xviii | 2.8691 (11) | Te10—Rb3ii | 3.7978 (8) |
Ti2—Te7xiii | 2.8815 (11) | Te10—Rb3v | 4.2091 (8) |
Ti2—Te11xiii | 2.8829 (11) | Te11—Ti3xix | 2.8024 (11) |
Ti2—Ti3 | 3.1903 (15) | Te11—Ti2xix | 2.8829 (11) |
Ti3—Te1 | 2.6363 (11) | Te11—Te6iv | 2.8909 (6) |
Ti3—Te2 | 2.6399 (12) | Te11—Rb3xix | 3.9324 (8) |
Ti3—Te11xiii | 2.8024 (11) | Te11—Rb2xvii | 4.1034 (8) |
Te5i—Rb1—Te3ii | 122.03 (2) | Te8—Ti2—Te4xiii | 153.85 (4) |
Te5i—Rb1—Te4iii | 131.31 (2) | Te1—Ti2—Te10xviii | 84.95 (3) |
Te3ii—Rb1—Te4iii | 100.689 (18) | Te9—Ti2—Te10xviii | 81.77 (3) |
Te5i—Rb1—Te6i | 49.355 (12) | Te8—Ti2—Te10xviii | 140.81 (4) |
Te3ii—Rb1—Te6i | 112.714 (19) | Te4xiii—Ti2—Te10xviii | 60.71 (2) |
Te4iii—Rb1—Te6i | 135.02 (2) | Te1—Ti2—Te7xiii | 160.25 (4) |
Te5i—Rb1—Te9ii | 112.944 (18) | Te9—Ti2—Te7xiii | 96.47 (3) |
Te3ii—Rb1—Te9ii | 68.454 (14) | Te8—Ti2—Te7xiii | 94.75 (3) |
Te4iii—Rb1—Te9ii | 103.204 (18) | Te4xiii—Ti2—Te7xiii | 71.67 (3) |
Te6i—Rb1—Te9ii | 65.202 (13) | Te10xviii—Ti2—Te7xiii | 80.63 (3) |
Te5i—Rb1—Te2 | 63.197 (14) | Te1—Ti2—Te11xiii | 92.78 (3) |
Te3ii—Rb1—Te2 | 95.246 (18) | Te9—Ti2—Te11xiii | 134.11 (4) |
Te4iii—Rb1—Te2 | 92.985 (17) | Te8—Ti2—Te11xiii | 74.37 (3) |
Te6i—Rb1—Te2 | 112.180 (18) | Te4xiii—Ti2—Te11xiii | 83.42 (3) |
Te9ii—Rb1—Te2 | 158.70 (2) | Te10xviii—Ti2—Te11xiii | 144.04 (4) |
Te5i—Rb1—Te10 | 123.42 (2) | Te7xiii—Ti2—Te11xiii | 91.04 (3) |
Te3ii—Rb1—Te10 | 74.174 (15) | Te1—Ti2—Ti3 | 51.84 (3) |
Te4iii—Rb1—Te10 | 44.189 (11) | Te9—Ti2—Ti3 | 146.13 (4) |
Te6i—Rb1—Te10 | 171.67 (2) | Te8—Ti2—Ti3 | 117.78 (4) |
Te9ii—Rb1—Te10 | 122.788 (19) | Te4xiii—Ti2—Ti3 | 55.28 (3) |
Te2—Rb1—Te10 | 61.443 (13) | Te10xviii—Ti2—Ti3 | 98.35 (4) |
Te5i—Rb1—Te8ii | 147.67 (2) | Te7xiii—Ti2—Ti3 | 117.08 (4) |
Te3ii—Rb1—Te8ii | 73.381 (15) | Te11xiii—Ti2—Ti3 | 54.68 (3) |
Te4iii—Rb1—Te8ii | 61.589 (13) | Te1—Ti3—Te2 | 105.67 (4) |
Te6i—Rb1—Te8ii | 99.388 (17) | Te1—Ti3—Te11xiii | 97.86 (4) |
Te9ii—Rb1—Te8ii | 41.993 (11) | Te2—Ti3—Te11xiii | 155.76 (4) |
Te2—Rb1—Te8ii | 148.37 (2) | Te1—Ti3—Te6xvii | 158.51 (5) |
Te10—Rb1—Te8ii | 86.952 (15) | Te2—Ti3—Te6xvii | 95.28 (3) |
Te5i—Rb1—Te11 | 69.276 (14) | Te11xiii—Ti3—Te6xvii | 61.95 (3) |
Te3ii—Rb1—Te11 | 53.886 (13) | Te1—Ti3—Te4xiii | 93.12 (3) |
Te4iii—Rb1—Te11 | 137.47 (2) | Te2—Ti3—Te4xiii | 98.84 (4) |
Te6i—Rb1—Te11 | 87.394 (15) | Te11xiii—Ti3—Te4xiii | 85.40 (3) |
Te9ii—Rb1—Te11 | 97.601 (17) | Te6xvii—Ti3—Te4xiii | 78.75 (3) |
Te2—Rb1—Te11 | 61.164 (13) | Te1—Ti3—Te3xvi | 101.94 (4) |
Te10—Rb1—Te11 | 93.465 (17) | Te2—Ti3—Te3xvi | 94.88 (3) |
Te8ii—Rb1—Te11 | 124.564 (19) | Te11xiii—Ti3—Te3xvi | 74.30 (3) |
Te5i—Rb1—Te6iv | 74.962 (14) | Te6xvii—Ti3—Te3xvi | 80.56 (3) |
Te3ii—Rb1—Te6iv | 56.224 (12) | Te4xiii—Ti3—Te3xvi | 156.08 (4) |
Te4iii—Rb1—Te6iv | 153.72 (2) | Te1—Ti3—Ti1 | 141.18 (5) |
Te6i—Rb1—Te6iv | 58.774 (13) | Te2—Ti3—Ti1 | 54.83 (3) |
Te9ii—Rb1—Te6iv | 58.914 (12) | Te11xiii—Ti3—Ti1 | 102.54 (4) |
Te2—Rb1—Te6iv | 100.942 (17) | Te6xvii—Ti3—Ti1 | 56.77 (3) |
Te10—Rb1—Te6iv | 126.147 (19) | Te4xiii—Ti3—Ti1 | 120.95 (4) |
Te8ii—Rb1—Te6iv | 96.857 (16) | Te3xvi—Ti3—Ti1 | 53.97 (3) |
Te11—Rb1—Te6iv | 41.754 (11) | Te1—Ti3—Ti2 | 56.06 (3) |
Te5i—Rb1—Rb2i | 44.460 (12) | Te2—Ti3—Ti2 | 143.50 (5) |
Te3ii—Rb1—Rb2i | 146.87 (2) | Te11xiii—Ti3—Ti2 | 57.07 (3) |
Te4iii—Rb1—Rb2i | 87.055 (16) | Te6xvii—Ti3—Ti2 | 103.76 (4) |
Te6i—Rb1—Rb2i | 81.121 (15) | Te4xiii—Ti3—Ti2 | 56.10 (3) |
Te9ii—Rb1—Rb2i | 141.377 (19) | Te3xvi—Ti3—Ti2 | 118.58 (4) |
Te2—Rb1—Rb2i | 51.931 (13) | Ti1—Ti3—Ti2 | 158.56 (5) |
Te10—Rb1—Rb2i | 90.569 (16) | Te1—Ti3—Rb2i | 57.82 (2) |
Te8ii—Rb1—Rb2i | 136.182 (19) | Te2—Ti3—Rb2i | 67.04 (3) |
Te11—Rb1—Rb2i | 99.254 (16) | Te11xiii—Ti3—Rb2i | 123.67 (3) |
Te6iv—Rb1—Rb2i | 119.064 (16) | Te6xvii—Ti3—Rb2i | 138.30 (4) |
Te5i—Rb1—Rb3ii | 167.00 (2) | Te4xiii—Ti3—Rb2i | 138.99 (4) |
Te3ii—Rb1—Rb3ii | 52.183 (12) | Te3xvi—Ti3—Rb2i | 64.72 (2) |
Te4iii—Rb1—Rb3ii | 49.439 (12) | Ti1—Ti3—Rb2i | 83.43 (3) |
Te6i—Rb1—Rb3ii | 141.913 (19) | Ti2—Ti3—Rb2i | 112.59 (3) |
Te9ii—Rb1—Rb3ii | 76.909 (14) | Te1—Ti3—Rb3xix | 65.31 (2) |
Te2—Rb1—Rb3ii | 104.460 (16) | Te2—Ti3—Rb3xix | 57.12 (2) |
Te10—Rb1—Rb3ii | 45.896 (11) | Te11xiii—Ti3—Rb3xix | 142.10 (4) |
Te8ii—Rb1—Rb3ii | 45.192 (11) | Te6xvii—Ti3—Rb3xix | 125.55 (3) |
Te11—Rb1—Rb3ii | 101.796 (16) | Te4xiii—Ti3—Rb3xix | 63.30 (2) |
Te6iv—Rb1—Rb3ii | 105.033 (16) | Te3xvi—Ti3—Rb3xix | 140.17 (4) |
Rb2i—Rb1—Rb3ii | 132.127 (17) | Ti1—Ti3—Rb3xix | 111.53 (3) |
Te5—Rb2—Te1v | 169.08 (2) | Ti2—Ti3—Rb3xix | 86.64 (3) |
Te5—Rb2—Te1vi | 89.440 (17) | Rb2i—Ti3—Rb3xix | 77.55 (2) |
Te1v—Rb2—Te1vi | 100.478 (18) | Ti3—Te1—Ti2 | 72.10 (3) |
Te5—Rb2—Te8v | 94.612 (18) | Ti3—Te1—Rb2v | 92.38 (3) |
Te1v—Rb2—Te8v | 74.900 (15) | Ti2—Te1—Rb2v | 87.76 (3) |
Te1vi—Rb2—Te8v | 170.46 (2) | Ti3—Te1—Rb3xx | 155.17 (3) |
Te5—Rb2—Te7vii | 107.818 (19) | Ti2—Te1—Rb3xx | 98.67 (3) |
Te1v—Rb2—Te7vii | 73.879 (15) | Rb2v—Te1—Rb3xx | 110.593 (18) |
Te1vi—Rb2—Te7vii | 106.605 (19) | Ti3—Te1—Rb2i | 84.39 (3) |
Te8v—Rb2—Te7vii | 80.390 (16) | Ti2—Te1—Rb2i | 152.78 (3) |
Te5—Rb2—Te3viii | 109.427 (19) | Rb2v—Te1—Rb2i | 79.522 (18) |
Te1v—Rb2—Te3viii | 71.023 (14) | Rb3xx—Te1—Rb2i | 108.304 (18) |
Te1vi—Rb2—Te3viii | 66.727 (14) | Ti3—Te1—Rb3xix | 78.71 (3) |
Te8v—Rb2—Te3viii | 103.747 (18) | Ti2—Te1—Rb3xix | 98.97 (3) |
Te7vii—Rb2—Te3viii | 141.99 (2) | Rb2v—Te1—Rb3xix | 166.473 (18) |
Te5—Rb2—Te3ix | 123.722 (19) | Rb3xx—Te1—Rb3xix | 80.146 (17) |
Te1v—Rb2—Te3ix | 64.977 (14) | Rb2i—Te1—Rb3xix | 89.405 (16) |
Te1vi—Rb2—Te3ix | 68.707 (14) | Ti3—Te2—Ti1 | 72.63 (3) |
Te8v—Rb2—Te3ix | 115.492 (18) | Ti3—Te2—Rb3xix | 86.12 (3) |
Te7vii—Rb2—Te3ix | 41.973 (11) | Ti1—Te2—Rb3xix | 157.28 (3) |
Te3viii—Rb2—Te3ix | 107.810 (17) | Ti3—Te2—Rb1 | 153.55 (3) |
Te5—Rb2—Te2vi | 62.505 (13) | Ti1—Te2—Rb1 | 99.29 (3) |
Te1v—Rb2—Te2vi | 125.80 (2) | Rb3xix—Te2—Rb1 | 103.358 (16) |
Te1vi—Rb2—Te2vi | 65.919 (14) | Ti3—Te2—Rb2i | 76.18 (3) |
Te8v—Rb2—Te2vi | 123.589 (19) | Ti1—Te2—Rb2i | 93.69 (3) |
Te7vii—Rb2—Te2vi | 62.436 (14) | Rb3xix—Te2—Rb2i | 88.795 (16) |
Te3viii—Rb2—Te2vi | 131.916 (19) | Rb1—Te2—Rb2i | 79.350 (16) |
Te3ix—Rb2—Te2vi | 61.220 (13) | Ti1xviii—Te3—Te7xiii | 60.71 (2) |
Te5—Rb2—Te11x | 107.469 (18) | Ti1xviii—Te3—Ti3xviii | 67.21 (3) |
Te1v—Rb2—Te11x | 63.813 (13) | Te7xiii—Te3—Ti3xviii | 108.58 (3) |
Te1vi—Rb2—Te11x | 118.375 (19) | Ti1xviii—Te3—Rb1xiv | 94.17 (3) |
Te8v—Rb2—Te11x | 52.131 (12) | Te7xiii—Te3—Rb1xiv | 118.867 (18) |
Te7vii—Rb2—Te11x | 121.867 (18) | Ti3xviii—Te3—Rb1xiv | 109.91 (3) |
Te3viii—Rb2—Te11x | 51.679 (12) | Ti1xviii—Te3—Rb2xx | 149.94 (3) |
Te3ix—Rb2—Te11x | 128.709 (18) | Te7xiii—Te3—Rb2xx | 128.682 (18) |
Te2vi—Rb2—Te11x | 169.69 (2) | Ti3xviii—Te3—Rb2xx | 83.29 (2) |
Te5—Rb2—Ti3vi | 90.24 (2) | Rb1xiv—Te3—Rb2xx | 101.458 (18) |
Te1v—Rb2—Ti3vi | 100.38 (2) | Ti1xviii—Te3—Rb2xxi | 93.34 (3) |
Te1vi—Rb2—Ti3vi | 37.790 (17) | Te7xiii—Te3—Rb2xxi | 64.515 (14) |
Te8v—Rb2—Ti3vi | 150.50 (2) | Ti3xviii—Te3—Rb2xxi | 73.91 (2) |
Te7vii—Rb2—Ti3vi | 70.445 (19) | Rb1xiv—Te3—Rb2xxi | 172.439 (18) |
Te3viii—Rb2—Ti3vi | 101.97 (2) | Rb2xx—Te3—Rb2xxi | 72.190 (17) |
Te3ix—Rb2—Ti3vi | 41.373 (17) | Ti1xviii—Te3—Rb3 | 113.26 (3) |
Te2vi—Rb2—Ti3vi | 36.777 (17) | Te7xiii—Te3—Rb3 | 63.049 (14) |
Te11x—Rb2—Ti3vi | 151.61 (2) | Ti3xviii—Te3—Rb3 | 166.58 (3) |
Te5—Rb2—Rb2xi | 139.24 (2) | Rb1xiv—Te3—Rb3 | 83.502 (15) |
Te1v—Rb2—Rb2xi | 50.463 (14) | Rb2xx—Te3—Rb3 | 94.058 (15) |
Te1vi—Rb2—Rb2xi | 50.015 (14) | Rb2xxi—Te3—Rb3 | 92.740 (15) |
Te8v—Rb2—Rb2xi | 124.78 (2) | Ti3xix—Te4—Ti2xix | 68.62 (3) |
Te7vii—Rb2—Rb2xi | 90.44 (2) | Ti3xix—Te4—Te10xxii | 107.18 (3) |
Te3viii—Rb2—Rb2xi | 55.717 (15) | Ti2xix—Te4—Te10xxii | 60.08 (2) |
Te3ix—Rb2—Rb2xi | 52.093 (14) | Ti3xix—Te4—Rb1xxii | 162.05 (3) |
Te2vi—Rb2—Rb2xi | 97.80 (2) | Ti2xix—Te4—Rb1xxii | 122.22 (3) |
Te11x—Rb2—Rb2xi | 91.654 (19) | Te10xxii—Te4—Rb1xxii | 71.675 (16) |
Ti3vi—Rb2—Rb2xi | 61.36 (2) | Ti3xix—Te4—Rb3xxiii | 77.96 (3) |
Te5—Rb2—Rb1vi | 46.889 (12) | Ti2xix—Te4—Rb3xxiii | 99.19 (3) |
Te1v—Rb2—Rb1vi | 130.989 (19) | Te10xxii—Te4—Rb3xxiii | 64.290 (14) |
Te1vi—Rb2—Rb1vi | 111.556 (17) | Rb1xxii—Te4—Rb3xxiii | 85.778 (16) |
Te8v—Rb2—Rb1vi | 77.309 (15) | Ti1x—Te5—Te10x | 57.25 (2) |
Te7vii—Rb2—Rb1vi | 62.189 (13) | Ti1x—Te5—Te6 | 57.38 (2) |
Te3viii—Rb2—Rb1vi | 155.812 (19) | Te10x—Te5—Te6 | 114.596 (16) |
Te3ix—Rb2—Rb1vi | 92.858 (16) | Ti1x—Te5—Te9xxiv | 57.28 (2) |
Te2vi—Rb2—Rb1vi | 48.719 (12) | Te10x—Te5—Te9xxiv | 71.193 (13) |
Te11x—Rb2—Rb1vi | 123.228 (18) | Te6—Te5—Te9xxiv | 76.485 (13) |
Ti3vi—Rb2—Rb1vi | 85.09 (2) | Ti1x—Te5—Rb2 | 116.12 (3) |
Rb2xi—Rb2—Rb1vi | 143.06 (2) | Te10x—Te5—Rb2 | 85.367 (17) |
Te1viii—Rb3—Te5xii | 97.997 (17) | Te6—Te5—Rb2 | 121.986 (18) |
Te1viii—Rb3—Te2xiii | 158.05 (2) | Te9xxiv—Te5—Rb2 | 155.307 (19) |
Te5xii—Rb3—Te2xiii | 64.946 (14) | Ti1x—Te5—Rb3xxv | 116.88 (3) |
Te1viii—Rb3—Te8 | 132.55 (2) | Te10x—Te5—Rb3xxv | 75.625 (15) |
Te5xii—Rb3—Te8 | 117.984 (19) | Te6—Te5—Rb3xxv | 139.379 (18) |
Te2xiii—Rb3—Te8 | 69.391 (14) | Te9xxiv—Te5—Rb3xxv | 70.014 (14) |
Te1viii—Rb3—Te10xiv | 79.693 (15) | Rb2—Te5—Rb3xxv | 97.240 (17) |
Te5xii—Rb3—Te10xiv | 137.31 (2) | Ti1x—Te5—Rb1vi | 124.47 (3) |
Te2xiii—Rb3—Te10xiv | 103.094 (17) | Te10x—Te5—Rb1vi | 173.735 (19) |
Te8—Rb3—Te10xiv | 91.631 (17) | Te6—Te5—Rb1vi | 67.258 (15) |
Te1viii—Rb3—Te7xiii | 73.136 (15) | Te9xxiv—Te5—Rb1vi | 114.984 (17) |
Te5xii—Rb3—Te7xiii | 109.062 (18) | Rb2—Te5—Rb1vi | 88.651 (18) |
Te2xiii—Rb3—Te7xiii | 124.175 (19) | Rb3xxv—Te5—Rb1vi | 107.047 (18) |
Te8—Rb3—Te7xiii | 66.713 (14) | Ti3x—Te6—Ti1x | 67.96 (3) |
Te10xiv—Rb3—Te7xiii | 110.817 (18) | Ti3x—Te6—Te11iv | 58.82 (2) |
Te1viii—Rb3—Te11xiii | 126.353 (19) | Ti1x—Te6—Te11iv | 108.40 (3) |
Te5xii—Rb3—Te11xiii | 69.434 (14) | Ti3x—Te6—Te5 | 109.96 (3) |
Te2xiii—Rb3—Te11xiii | 62.697 (13) | Ti1x—Te6—Te5 | 55.16 (2) |
Te8—Rb3—Te11xiii | 53.030 (12) | Te11iv—Te6—Te5 | 163.551 (18) |
Te10xiv—Rb3—Te11xiii | 144.24 (2) | Ti3x—Te6—Rb1vi | 136.74 (3) |
Te7xiii—Rb3—Te11xiii | 63.811 (13) | Ti1x—Te6—Rb1vi | 118.40 (3) |
Te1viii—Rb3—Te9viii | 64.901 (13) | Te11iv—Te6—Rb1vi | 133.044 (18) |
Te5xii—Rb3—Te9viii | 49.520 (12) | Te5—Te6—Rb1vi | 63.388 (14) |
Te2xiii—Rb3—Te9viii | 107.858 (18) | Ti3x—Te6—Rb1iv | 101.67 (3) |
Te8—Rb3—Te9viii | 115.694 (18) | Ti1x—Te6—Rb1iv | 84.16 (2) |
Te10xiv—Rb3—Te9viii | 144.208 (19) | Te11iv—Te6—Rb1iv | 65.225 (14) |
Te7xiii—Rb3—Te9viii | 64.965 (13) | Te5—Te6—Rb1iv | 108.930 (16) |
Te11xiii—Rb3—Te9viii | 68.658 (14) | Rb1vi—Te6—Rb1iv | 121.226 (13) |
Te1viii—Rb3—Te4xv | 122.723 (19) | Te3xix—Te7—Ti1xxii | 59.19 (2) |
Te5xii—Rb3—Te4xv | 124.991 (18) | Te3xix—Te7—Ti2xix | 110.53 (3) |
Te2xiii—Rb3—Te4xv | 64.770 (13) | Ti1xxii—Te7—Ti2xix | 75.43 (3) |
Te8—Rb3—Te4xv | 60.595 (13) | Te3xix—Te7—Rb2xxvi | 73.512 (15) |
Te10xiv—Rb3—Te4xv | 43.230 (11) | Ti1xxii—Te7—Rb2xxvi | 97.80 (3) |
Te7xiii—Rb3—Te4xv | 116.689 (18) | Ti2xix—Te7—Rb2xxvi | 167.52 (3) |
Te11xiii—Rb3—Te4xv | 104.933 (17) | Te3xix—Te7—Rb3xix | 76.339 (16) |
Te9viii—Rb3—Te4xv | 172.323 (19) | Ti1xxii—Te7—Rb3xix | 122.75 (3) |
Te1viii—Rb3—Te1xiii | 99.854 (17) | Ti2xix—Te7—Rb3xix | 90.10 (2) |
Te5xii—Rb3—Te1xiii | 81.100 (15) | Rb2xxvi—Te7—Rb3xix | 102.365 (17) |
Te2xiii—Rb3—Te1xiii | 65.213 (13) | Te9—Te8—Ti2 | 59.89 (2) |
Te8—Rb3—Te1xiii | 114.617 (17) | Te9—Te8—Rb2v | 103.099 (18) |
Te10xiv—Rb3—Te1xiii | 57.840 (12) | Ti2—Te8—Rb2v | 86.74 (3) |
Te7xiii—Rb3—Te1xiii | 168.12 (2) | Te9—Te8—Rb3 | 123.725 (18) |
Te11xiii—Rb3—Te1xiii | 127.084 (18) | Ti2—Te8—Rb3 | 93.47 (3) |
Te9viii—Rb3—Te1xiii | 121.363 (18) | Rb2v—Te8—Rb3 | 125.485 (18) |
Te4xv—Rb3—Te1xiii | 58.575 (12) | Te9—Te8—Rb1xiv | 67.419 (15) |
Te1viii—Rb3—Te3 | 63.128 (13) | Ti2—Te8—Rb1xiv | 115.74 (3) |
Te5xii—Rb3—Te3 | 146.051 (19) | Rb2v—Te8—Rb1xiv | 140.857 (18) |
Te2xiii—Rb3—Te3 | 138.575 (19) | Rb3—Te8—Rb1xiv | 86.698 (16) |
Te8—Rb3—Te3 | 69.991 (13) | Ti2—Te9—Te8 | 60.16 (2) |
Te10xiv—Rb3—Te3 | 70.273 (13) | Ti2—Te9—Ti1xviii | 75.53 (3) |
Te7xiii—Rb3—Te3 | 40.611 (11) | Te8—Te9—Ti1xviii | 109.25 (3) |
Te11xiii—Rb3—Te3 | 98.170 (16) | Ti2—Te9—Te5xxiv | 103.17 (3) |
Te9viii—Rb3—Te3 | 96.647 (15) | Te8—Te9—Te5xxiv | 160.604 (18) |
Te4xv—Rb3—Te3 | 88.348 (15) | Ti1xviii—Te9—Te5xxiv | 53.75 (2) |
Te1xiii—Rb3—Te3 | 127.757 (18) | Ti2—Te9—Rb1xiv | 118.48 (3) |
Te1viii—Rb3—Te10v | 57.726 (12) | Te8—Te9—Rb1xiv | 70.589 (15) |
Te5xii—Rb3—Te10v | 46.113 (11) | Ti1xviii—Te9—Rb1xiv | 89.24 (3) |
Te2xiii—Rb3—Te10v | 100.850 (17) | Te5xxiv—Te9—Rb1xiv | 114.428 (16) |
Te8—Rb3—Te10v | 163.77 (2) | Ti2—Te9—Rb3xx | 90.52 (3) |
Te10xiv—Rb3—Te10v | 103.451 (16) | Te8—Te9—Rb3xx | 125.004 (17) |
Te7xiii—Rb3—Te10v | 112.171 (17) | Ti1xviii—Te9—Rb3xx | 105.88 (3) |
Te11xiii—Rb3—Te10v | 111.243 (17) | Te5xxiv—Te9—Rb3xx | 60.466 (13) |
Te9viii—Rb3—Te10v | 53.625 (11) | Rb1xiv—Te9—Rb3xx | 150.169 (17) |
Te4xv—Rb3—Te10v | 128.166 (18) | Ti1—Te10—Ti2xvi | 75.24 (3) |
Te1xiii—Rb3—Te10v | 70.064 (13) | Ti1—Te10—Te4iii | 108.16 (3) |
Te3—Rb3—Te10v | 120.557 (17) | Ti2xvi—Te10—Te4iii | 59.21 (2) |
Te2—Ti1—Te3xvi | 96.92 (3) | Ti1—Te10—Te5xvii | 55.36 (2) |
Te2—Ti1—Te5xvii | 97.68 (3) | Ti2xvi—Te10—Te5xvii | 103.80 (3) |
Te3xvi—Ti1—Te5xvii | 146.99 (4) | Te4iii—Te10—Te5xvii | 160.715 (18) |
Te2—Ti1—Te7iii | 94.60 (3) | Ti1—Te10—Rb3ii | 178.25 (3) |
Te3xvi—Ti1—Te7iii | 60.10 (2) | Ti2xvi—Te10—Rb3ii | 103.91 (3) |
Te5xvii—Ti1—Te7iii | 146.99 (4) | Te4iii—Te10—Rb3ii | 72.480 (15) |
Te2—Ti1—Te10 | 91.40 (3) | Te5xvii—Te10—Rb3ii | 123.687 (17) |
Te3xvi—Ti1—Te10 | 141.48 (4) | Ti1—Te10—Rb1 | 95.67 (3) |
Te5xvii—Ti1—Te10 | 67.39 (3) | Ti2xvi—Te10—Rb1 | 115.15 (3) |
Te7iii—Ti1—Te10 | 81.83 (3) | Te4iii—Te10—Rb1 | 64.136 (15) |
Te2—Ti1—Te6xvii | 92.43 (3) | Te5xvii—Te10—Rb1 | 123.012 (17) |
Te3xvi—Ti1—Te6xvii | 82.50 (3) | Rb3ii—Te10—Rb1 | 86.081 (16) |
Te5xvii—Ti1—Te6xvii | 67.46 (3) | Ti1—Te10—Rb3v | 101.81 (3) |
Te7iii—Ti1—Te6xvii | 142.49 (4) | Ti2xvi—Te10—Rb3v | 85.17 (2) |
Te10—Ti1—Te6xvii | 134.80 (4) | Te4iii—Te10—Rb3v | 123.665 (16) |
Te2—Ti1—Te9xvi | 166.07 (4) | Te5xvii—Te10—Rb3v | 58.262 (13) |
Te3xvi—Ti1—Te9xvi | 96.63 (3) | Rb3ii—Te10—Rb3v | 76.548 (16) |
Te5xvii—Ti1—Te9xvi | 68.97 (3) | Rb1—Te10—Rb3v | 156.188 (17) |
Te7iii—Ti1—Te9xvi | 94.94 (3) | Ti3xix—Te11—Ti2xix | 68.25 (3) |
Te10—Ti1—Te9xvi | 79.95 (3) | Ti3xix—Te11—Te6iv | 59.22 (2) |
Te6xvii—Ti1—Te9xvi | 86.13 (3) | Ti2xix—Te11—Te6iv | 110.00 (3) |
Te2—Ti1—Ti3 | 52.54 (3) | Ti3xix—Te11—Rb3xix | 152.27 (3) |
Te3xvi—Ti1—Ti3 | 58.82 (3) | Ti2xix—Te11—Rb3xix | 88.43 (3) |
Te5xvii—Ti1—Ti3 | 109.65 (4) | Te6iv—Te11—Rb3xix | 120.142 (17) |
Te7iii—Ti1—Ti3 | 102.15 (4) | Ti3xix—Te11—Rb1 | 107.10 (3) |
Te10—Ti1—Ti3 | 143.78 (4) | Ti2xix—Te11—Rb1 | 170.19 (3) |
Te6xvii—Ti1—Ti3 | 55.27 (3) | Te6iv—Te11—Rb1 | 73.021 (15) |
Te9xvi—Ti1—Ti3 | 134.44 (4) | Rb3xix—Te11—Rb1 | 98.112 (16) |
Te1—Ti2—Te9 | 94.73 (3) | Ti3xix—Te11—Rb2xvii | 80.34 (3) |
Te1—Ti2—Te8 | 104.94 (4) | Ti2xix—Te11—Rb2xvii | 77.52 (2) |
Te9—Ti2—Te8 | 59.95 (2) | Te6iv—Te11—Rb2xvii | 129.173 (17) |
Te1—Ti2—Te4xiii | 89.53 (3) | Rb3xix—Te11—Rb2xvii | 110.034 (16) |
Te9—Ti2—Te4xiii | 141.73 (4) | Rb1—Te11—Rb2xvii | 93.309 (16) |
Symmetry codes: (i) x, y+1, z; (ii) x, y, z+1; (iii) x−1, y, z; (iv) −x+1, −y+1, −z+2; (v) −x, −y+1, −z+1; (vi) x, y−1, z; (vii) x−1, y−1, z; (viii) −x+1/2, y−1/2, −z+1/2; (ix) x−1/2, −y+1/2, z+1/2; (x) −x+1/2, y−1/2, −z+3/2; (xi) −x, −y, −z+1; (xii) x−1/2, −y+1/2, z−1/2; (xiii) x−1/2, −y+3/2, z−1/2; (xiv) x, y, z−1; (xv) x−1, y, z−1; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+1/2, y+1/2, −z+3/2; (xviii) x+1/2, −y+3/2, z−1/2; (xix) x+1/2, −y+3/2, z+1/2; (xx) −x+1/2, y+1/2, −z+1/2; (xxi) x+1/2, −y+1/2, z−1/2; (xxii) x+1, y, z; (xxiii) x+1, y, z+1; (xxiv) −x+1, −y+1, −z+1; (xxv) x+1/2, −y+1/2, z+1/2; (xxvi) x+1, y+1, z. |
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