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Trirubidium trititanium undecatelluride, Rb3Ti3Te11, has been synthesized from the reaction of titanium, tellurium, and Rb2Te3 at 773 K. Its structure has been determined from single-crystal X-ray data. It is composed of one-dimensional [Ti3Te113-] chains built by face-sharing pentagonal TiTe7 bipyramids and distorted TiTe6 octahedra. These chains adopt hexagonal closest packing along the [101] direction. Rb atoms are located among these chains. The wide range of Te-Te interactions makes the assignment of formal oxidation states impossible. The compound is isostructural with Cs3Ti3Te11.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100009367/br1300sup1.cif
Contains datablocks Rb3Ti3Te11, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100009367/br1300Isup2.hkl
Contains datablock I

Computing details top

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.

'rubidium titanium polytelluride' top
Crystal data top
Rb3Ti3Te11F(000) = 2996
Mr = 1803.71Dx = 5.104 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 10.5757 (6) ÅCell parameters from 14466 reflections
b = 15.0449 (8) Åθ = 1.9–28.0°
c = 14.7710 (8) ŵ = 20.56 mm1
β = 92.954 (1)°T = 153 K
V = 2347.1 (2) Å3Needle, black
Z = 40.15 × 0.02 × 0.02 mm
Data collection top
Bruker Smart 1000 CDD
diffractometer
5422 independent reflections
Radiation source: standard-focus sealed tube4676 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.033
ω scansθmax = 28.0°, θmin = 1.9°
Absorption correction: numerical
face indexed
h = 913
Tmin = 0.321, Tmax = 0.511k = 1919
14466 measured reflectionsl = 1815
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullPrimary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.028Secondary 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 reflectionsΔρmax = 2.33 e Å3
154 parametersΔρmin = 1.89 e Å3
Special details top

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).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Rb10.22720 (6)0.88028 (4)0.94126 (5)0.02286 (14)
Rb20.07671 (6)0.02884 (4)0.64715 (4)0.02243 (14)
Rb30.04867 (6)0.60968 (4)0.12268 (4)0.01974 (13)
Ti10.03002 (10)0.69799 (7)0.68106 (7)0.0118 (2)
Ti20.27666 (10)0.81231 (7)0.32332 (7)0.0123 (2)
Ti30.17981 (10)0.78428 (7)0.52232 (7)0.0127 (2)
Te10.23853 (4)0.94033 (3)0.45499 (3)0.01429 (9)
Te20.24997 (4)0.79162 (3)0.69629 (3)0.01615 (9)
Te30.40782 (4)0.69432 (3)0.05058 (3)0.01407 (9)
Te40.89663 (4)0.79841 (3)0.95807 (3)0.01462 (9)
Te50.36933 (4)0.03077 (3)0.77632 (3)0.01612 (9)
Te60.39242 (4)0.10429 (3)0.97551 (3)0.01427 (9)
Te70.87760 (4)0.84099 (3)0.73503 (3)0.01444 (9)
Te80.09577 (4)0.84976 (3)0.18370 (3)0.01563 (9)
Te90.33057 (4)0.93481 (2)0.18890 (3)0.01362 (9)
Te100.04068 (4)0.66280 (3)0.87110 (3)0.01487 (9)
Te110.55349 (4)0.78566 (3)0.86679 (3)0.01403 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rb10.0214 (3)0.0248 (3)0.0226 (3)0.0057 (3)0.0034 (3)0.0022 (3)
Rb20.0167 (3)0.0306 (3)0.0201 (3)0.0057 (2)0.0013 (3)0.0013 (3)
Rb30.0181 (3)0.0203 (3)0.0210 (3)0.0023 (2)0.0035 (2)0.0003 (2)
Ti10.0094 (5)0.0133 (5)0.0127 (5)0.0007 (4)0.0015 (4)0.0010 (4)
Ti20.0105 (5)0.0145 (5)0.0120 (5)0.0003 (4)0.0014 (4)0.0009 (4)
Ti30.0113 (5)0.0147 (5)0.0123 (5)0.0014 (4)0.0017 (4)0.0011 (4)
Te10.01440 (18)0.01335 (19)0.0154 (2)0.00060 (14)0.00392 (16)0.00033 (15)
Te20.01317 (18)0.0223 (2)0.01300 (19)0.00609 (15)0.00099 (16)0.00067 (16)
Te30.01136 (18)0.01655 (19)0.0144 (2)0.00159 (14)0.00132 (15)0.00214 (15)
Te40.01220 (18)0.0181 (2)0.0137 (2)0.00330 (15)0.00256 (15)0.00246 (15)
Te50.01535 (19)0.0160 (2)0.0172 (2)0.00479 (15)0.00231 (16)0.00160 (15)
Te60.01431 (19)0.01284 (19)0.0160 (2)0.00060 (14)0.00413 (16)0.00135 (15)
Te70.01282 (18)0.01384 (19)0.0171 (2)0.00020 (14)0.00478 (16)0.00030 (15)
Te80.01201 (18)0.0203 (2)0.0145 (2)0.00017 (15)0.00062 (15)0.00057 (16)
Te90.01337 (18)0.01392 (19)0.01378 (19)0.00110 (14)0.00270 (15)0.00087 (14)
Te100.01063 (18)0.0207 (2)0.01330 (19)0.00037 (15)0.00075 (15)0.00300 (15)
Te110.01170 (18)0.0183 (2)0.01216 (19)0.00237 (14)0.00094 (15)0.00062 (15)
Geometric parameters (Å, º) top
Rb1—Te5i3.7012 (8)Ti3—Te6xvii2.8143 (11)
Rb1—Te3ii3.7101 (8)Ti3—Te4xiii2.8162 (12)
Rb1—Te4iii3.7270 (8)Ti3—Te3xvi2.9454 (11)
Rb1—Te6i3.8179 (8)Ti3—Rb2i4.2817 (13)
Rb1—Te9ii3.8518 (8)Ti3—Rb3xix4.4005 (13)
Rb1—Te23.8756 (8)Te1—Rb2v3.6177 (8)
Rb1—Te103.9319 (8)Te1—Rb3xx3.6248 (7)
Rb1—Te8ii3.9345 (8)Te1—Rb2i3.6413 (8)
Rb1—Te113.9415 (8)Te1—Rb3xix4.0770 (8)
Rb1—Te6iv4.1518 (8)Te2—Rb3xix3.7040 (8)
Rb1—Rb2i5.0685 (10)Te2—Rb2i4.0602 (8)
Rb1—Rb3ii5.2765 (9)Te3—Ti1xviii2.7844 (11)
Rb2—Te53.5510 (8)Te3—Te7xiii2.8103 (6)
Rb2—Te1v3.6177 (8)Te3—Ti3xviii2.9454 (11)
Rb2—Te1vi3.6413 (8)Te3—Rb1xiv3.7101 (8)
Rb2—Te8v3.6572 (8)Te3—Rb2xx3.8476 (8)
Rb2—Te7vii3.7932 (8)Te3—Rb2xxi4.0293 (8)
Rb2—Te3viii3.8476 (8)Te4—Ti3xix2.8162 (12)
Rb2—Te3ix4.0293 (8)Te4—Ti2xix2.8435 (11)
Rb2—Te2vi4.0602 (8)Te4—Te10xxii2.8870 (6)
Rb2—Te11x4.1034 (8)Te4—Rb1xxii3.7270 (8)
Rb2—Ti3vi4.2817 (13)Te4—Rb3xxiii4.0196 (8)
Rb2—Rb2xi4.6428 (13)Te5—Ti1x2.7910 (11)
Rb2—Rb1vi5.0685 (10)Te5—Te10x3.1316 (6)
Rb3—Te1viii3.6248 (7)Te5—Te63.1411 (6)
Rb3—Te5xii3.6954 (8)Te5—Te9xxiv3.2306 (6)
Rb3—Te2xiii3.7040 (7)Te5—Rb3xxv3.6954 (8)
Rb3—Te83.7498 (8)Te5—Rb1vi3.7012 (8)
Rb3—Te10xiv3.7978 (8)Te6—Ti3x2.8143 (11)
Rb3—Te7xiii3.8485 (8)Te6—Ti1x2.8644 (11)
Rb3—Te11xiii3.9324 (8)Te6—Te11iv2.8909 (6)
Rb3—Te9viii3.9915 (7)Te6—Rb1vi3.8179 (8)
Rb3—Te4xv4.0196 (8)Te6—Rb1iv4.1518 (8)
Rb3—Te1xiii4.0770 (8)Te7—Te3xix2.8103 (6)
Rb3—Te34.1953 (8)Te7—Ti1xxii2.8275 (11)
Rb3—Te10v4.2091 (8)Te7—Ti2xix2.8815 (11)
Ti1—Te22.7187 (11)Te7—Rb2xxvi3.7932 (8)
Ti1—Te3xvi2.7844 (11)Te7—Rb3xix3.8485 (8)
Ti1—Te5xvii2.7910 (11)Te8—Te92.7910 (6)
Ti1—Te7iii2.8275 (11)Te8—Rb2v3.6572 (8)
Ti1—Te102.8531 (11)Te8—Rb1xiv3.9345 (8)
Ti1—Te6xvii2.8644 (11)Te9—Ti1xviii2.9121 (11)
Ti1—Te9xvi2.9121 (11)Te9—Te5xxiv3.2306 (6)
Ti1—Ti33.1741 (15)Te9—Rb1xiv3.8518 (8)
Ti2—Te12.7813 (11)Te9—Rb3xx3.9915 (7)
Ti2—Te92.7893 (11)Te10—Ti2xvi2.8691 (11)
Ti2—Te82.7970 (11)Te10—Te4iii2.8870 (6)
Ti2—Te4xiii2.8435 (11)Te10—Te5xvii3.1316 (6)
Ti2—Te10xviii2.8691 (11)Te10—Rb3ii3.7978 (8)
Ti2—Te7xiii2.8815 (11)Te10—Rb3v4.2091 (8)
Ti2—Te11xiii2.8829 (11)Te11—Ti3xix2.8024 (11)
Ti2—Ti33.1903 (15)Te11—Ti2xix2.8829 (11)
Ti3—Te12.6363 (11)Te11—Te6iv2.8909 (6)
Ti3—Te22.6399 (12)Te11—Rb3xix3.9324 (8)
Ti3—Te11xiii2.8024 (11)Te11—Rb2xvii4.1034 (8)
Te5i—Rb1—Te3ii122.03 (2)Te8—Ti2—Te4xiii153.85 (4)
Te5i—Rb1—Te4iii131.31 (2)Te1—Ti2—Te10xviii84.95 (3)
Te3ii—Rb1—Te4iii100.689 (18)Te9—Ti2—Te10xviii81.77 (3)
Te5i—Rb1—Te6i49.355 (12)Te8—Ti2—Te10xviii140.81 (4)
Te3ii—Rb1—Te6i112.714 (19)Te4xiii—Ti2—Te10xviii60.71 (2)
Te4iii—Rb1—Te6i135.02 (2)Te1—Ti2—Te7xiii160.25 (4)
Te5i—Rb1—Te9ii112.944 (18)Te9—Ti2—Te7xiii96.47 (3)
Te3ii—Rb1—Te9ii68.454 (14)Te8—Ti2—Te7xiii94.75 (3)
Te4iii—Rb1—Te9ii103.204 (18)Te4xiii—Ti2—Te7xiii71.67 (3)
Te6i—Rb1—Te9ii65.202 (13)Te10xviii—Ti2—Te7xiii80.63 (3)
Te5i—Rb1—Te263.197 (14)Te1—Ti2—Te11xiii92.78 (3)
Te3ii—Rb1—Te295.246 (18)Te9—Ti2—Te11xiii134.11 (4)
Te4iii—Rb1—Te292.985 (17)Te8—Ti2—Te11xiii74.37 (3)
Te6i—Rb1—Te2112.180 (18)Te4xiii—Ti2—Te11xiii83.42 (3)
Te9ii—Rb1—Te2158.70 (2)Te10xviii—Ti2—Te11xiii144.04 (4)
Te5i—Rb1—Te10123.42 (2)Te7xiii—Ti2—Te11xiii91.04 (3)
Te3ii—Rb1—Te1074.174 (15)Te1—Ti2—Ti351.84 (3)
Te4iii—Rb1—Te1044.189 (11)Te9—Ti2—Ti3146.13 (4)
Te6i—Rb1—Te10171.67 (2)Te8—Ti2—Ti3117.78 (4)
Te9ii—Rb1—Te10122.788 (19)Te4xiii—Ti2—Ti355.28 (3)
Te2—Rb1—Te1061.443 (13)Te10xviii—Ti2—Ti398.35 (4)
Te5i—Rb1—Te8ii147.67 (2)Te7xiii—Ti2—Ti3117.08 (4)
Te3ii—Rb1—Te8ii73.381 (15)Te11xiii—Ti2—Ti354.68 (3)
Te4iii—Rb1—Te8ii61.589 (13)Te1—Ti3—Te2105.67 (4)
Te6i—Rb1—Te8ii99.388 (17)Te1—Ti3—Te11xiii97.86 (4)
Te9ii—Rb1—Te8ii41.993 (11)Te2—Ti3—Te11xiii155.76 (4)
Te2—Rb1—Te8ii148.37 (2)Te1—Ti3—Te6xvii158.51 (5)
Te10—Rb1—Te8ii86.952 (15)Te2—Ti3—Te6xvii95.28 (3)
Te5i—Rb1—Te1169.276 (14)Te11xiii—Ti3—Te6xvii61.95 (3)
Te3ii—Rb1—Te1153.886 (13)Te1—Ti3—Te4xiii93.12 (3)
Te4iii—Rb1—Te11137.47 (2)Te2—Ti3—Te4xiii98.84 (4)
Te6i—Rb1—Te1187.394 (15)Te11xiii—Ti3—Te4xiii85.40 (3)
Te9ii—Rb1—Te1197.601 (17)Te6xvii—Ti3—Te4xiii78.75 (3)
Te2—Rb1—Te1161.164 (13)Te1—Ti3—Te3xvi101.94 (4)
Te10—Rb1—Te1193.465 (17)Te2—Ti3—Te3xvi94.88 (3)
Te8ii—Rb1—Te11124.564 (19)Te11xiii—Ti3—Te3xvi74.30 (3)
Te5i—Rb1—Te6iv74.962 (14)Te6xvii—Ti3—Te3xvi80.56 (3)
Te3ii—Rb1—Te6iv56.224 (12)Te4xiii—Ti3—Te3xvi156.08 (4)
Te4iii—Rb1—Te6iv153.72 (2)Te1—Ti3—Ti1141.18 (5)
Te6i—Rb1—Te6iv58.774 (13)Te2—Ti3—Ti154.83 (3)
Te9ii—Rb1—Te6iv58.914 (12)Te11xiii—Ti3—Ti1102.54 (4)
Te2—Rb1—Te6iv100.942 (17)Te6xvii—Ti3—Ti156.77 (3)
Te10—Rb1—Te6iv126.147 (19)Te4xiii—Ti3—Ti1120.95 (4)
Te8ii—Rb1—Te6iv96.857 (16)Te3xvi—Ti3—Ti153.97 (3)
Te11—Rb1—Te6iv41.754 (11)Te1—Ti3—Ti256.06 (3)
Te5i—Rb1—Rb2i44.460 (12)Te2—Ti3—Ti2143.50 (5)
Te3ii—Rb1—Rb2i146.87 (2)Te11xiii—Ti3—Ti257.07 (3)
Te4iii—Rb1—Rb2i87.055 (16)Te6xvii—Ti3—Ti2103.76 (4)
Te6i—Rb1—Rb2i81.121 (15)Te4xiii—Ti3—Ti256.10 (3)
Te9ii—Rb1—Rb2i141.377 (19)Te3xvi—Ti3—Ti2118.58 (4)
Te2—Rb1—Rb2i51.931 (13)Ti1—Ti3—Ti2158.56 (5)
Te10—Rb1—Rb2i90.569 (16)Te1—Ti3—Rb2i57.82 (2)
Te8ii—Rb1—Rb2i136.182 (19)Te2—Ti3—Rb2i67.04 (3)
Te11—Rb1—Rb2i99.254 (16)Te11xiii—Ti3—Rb2i123.67 (3)
Te6iv—Rb1—Rb2i119.064 (16)Te6xvii—Ti3—Rb2i138.30 (4)
Te5i—Rb1—Rb3ii167.00 (2)Te4xiii—Ti3—Rb2i138.99 (4)
Te3ii—Rb1—Rb3ii52.183 (12)Te3xvi—Ti3—Rb2i64.72 (2)
Te4iii—Rb1—Rb3ii49.439 (12)Ti1—Ti3—Rb2i83.43 (3)
Te6i—Rb1—Rb3ii141.913 (19)Ti2—Ti3—Rb2i112.59 (3)
Te9ii—Rb1—Rb3ii76.909 (14)Te1—Ti3—Rb3xix65.31 (2)
Te2—Rb1—Rb3ii104.460 (16)Te2—Ti3—Rb3xix57.12 (2)
Te10—Rb1—Rb3ii45.896 (11)Te11xiii—Ti3—Rb3xix142.10 (4)
Te8ii—Rb1—Rb3ii45.192 (11)Te6xvii—Ti3—Rb3xix125.55 (3)
Te11—Rb1—Rb3ii101.796 (16)Te4xiii—Ti3—Rb3xix63.30 (2)
Te6iv—Rb1—Rb3ii105.033 (16)Te3xvi—Ti3—Rb3xix140.17 (4)
Rb2i—Rb1—Rb3ii132.127 (17)Ti1—Ti3—Rb3xix111.53 (3)
Te5—Rb2—Te1v169.08 (2)Ti2—Ti3—Rb3xix86.64 (3)
Te5—Rb2—Te1vi89.440 (17)Rb2i—Ti3—Rb3xix77.55 (2)
Te1v—Rb2—Te1vi100.478 (18)Ti3—Te1—Ti272.10 (3)
Te5—Rb2—Te8v94.612 (18)Ti3—Te1—Rb2v92.38 (3)
Te1v—Rb2—Te8v74.900 (15)Ti2—Te1—Rb2v87.76 (3)
Te1vi—Rb2—Te8v170.46 (2)Ti3—Te1—Rb3xx155.17 (3)
Te5—Rb2—Te7vii107.818 (19)Ti2—Te1—Rb3xx98.67 (3)
Te1v—Rb2—Te7vii73.879 (15)Rb2v—Te1—Rb3xx110.593 (18)
Te1vi—Rb2—Te7vii106.605 (19)Ti3—Te1—Rb2i84.39 (3)
Te8v—Rb2—Te7vii80.390 (16)Ti2—Te1—Rb2i152.78 (3)
Te5—Rb2—Te3viii109.427 (19)Rb2v—Te1—Rb2i79.522 (18)
Te1v—Rb2—Te3viii71.023 (14)Rb3xx—Te1—Rb2i108.304 (18)
Te1vi—Rb2—Te3viii66.727 (14)Ti3—Te1—Rb3xix78.71 (3)
Te8v—Rb2—Te3viii103.747 (18)Ti2—Te1—Rb3xix98.97 (3)
Te7vii—Rb2—Te3viii141.99 (2)Rb2v—Te1—Rb3xix166.473 (18)
Te5—Rb2—Te3ix123.722 (19)Rb3xx—Te1—Rb3xix80.146 (17)
Te1v—Rb2—Te3ix64.977 (14)Rb2i—Te1—Rb3xix89.405 (16)
Te1vi—Rb2—Te3ix68.707 (14)Ti3—Te2—Ti172.63 (3)
Te8v—Rb2—Te3ix115.492 (18)Ti3—Te2—Rb3xix86.12 (3)
Te7vii—Rb2—Te3ix41.973 (11)Ti1—Te2—Rb3xix157.28 (3)
Te3viii—Rb2—Te3ix107.810 (17)Ti3—Te2—Rb1153.55 (3)
Te5—Rb2—Te2vi62.505 (13)Ti1—Te2—Rb199.29 (3)
Te1v—Rb2—Te2vi125.80 (2)Rb3xix—Te2—Rb1103.358 (16)
Te1vi—Rb2—Te2vi65.919 (14)Ti3—Te2—Rb2i76.18 (3)
Te8v—Rb2—Te2vi123.589 (19)Ti1—Te2—Rb2i93.69 (3)
Te7vii—Rb2—Te2vi62.436 (14)Rb3xix—Te2—Rb2i88.795 (16)
Te3viii—Rb2—Te2vi131.916 (19)Rb1—Te2—Rb2i79.350 (16)
Te3ix—Rb2—Te2vi61.220 (13)Ti1xviii—Te3—Te7xiii60.71 (2)
Te5—Rb2—Te11x107.469 (18)Ti1xviii—Te3—Ti3xviii67.21 (3)
Te1v—Rb2—Te11x63.813 (13)Te7xiii—Te3—Ti3xviii108.58 (3)
Te1vi—Rb2—Te11x118.375 (19)Ti1xviii—Te3—Rb1xiv94.17 (3)
Te8v—Rb2—Te11x52.131 (12)Te7xiii—Te3—Rb1xiv118.867 (18)
Te7vii—Rb2—Te11x121.867 (18)Ti3xviii—Te3—Rb1xiv109.91 (3)
Te3viii—Rb2—Te11x51.679 (12)Ti1xviii—Te3—Rb2xx149.94 (3)
Te3ix—Rb2—Te11x128.709 (18)Te7xiii—Te3—Rb2xx128.682 (18)
Te2vi—Rb2—Te11x169.69 (2)Ti3xviii—Te3—Rb2xx83.29 (2)
Te5—Rb2—Ti3vi90.24 (2)Rb1xiv—Te3—Rb2xx101.458 (18)
Te1v—Rb2—Ti3vi100.38 (2)Ti1xviii—Te3—Rb2xxi93.34 (3)
Te1vi—Rb2—Ti3vi37.790 (17)Te7xiii—Te3—Rb2xxi64.515 (14)
Te8v—Rb2—Ti3vi150.50 (2)Ti3xviii—Te3—Rb2xxi73.91 (2)
Te7vii—Rb2—Ti3vi70.445 (19)Rb1xiv—Te3—Rb2xxi172.439 (18)
Te3viii—Rb2—Ti3vi101.97 (2)Rb2xx—Te3—Rb2xxi72.190 (17)
Te3ix—Rb2—Ti3vi41.373 (17)Ti1xviii—Te3—Rb3113.26 (3)
Te2vi—Rb2—Ti3vi36.777 (17)Te7xiii—Te3—Rb363.049 (14)
Te11x—Rb2—Ti3vi151.61 (2)Ti3xviii—Te3—Rb3166.58 (3)
Te5—Rb2—Rb2xi139.24 (2)Rb1xiv—Te3—Rb383.502 (15)
Te1v—Rb2—Rb2xi50.463 (14)Rb2xx—Te3—Rb394.058 (15)
Te1vi—Rb2—Rb2xi50.015 (14)Rb2xxi—Te3—Rb392.740 (15)
Te8v—Rb2—Rb2xi124.78 (2)Ti3xix—Te4—Ti2xix68.62 (3)
Te7vii—Rb2—Rb2xi90.44 (2)Ti3xix—Te4—Te10xxii107.18 (3)
Te3viii—Rb2—Rb2xi55.717 (15)Ti2xix—Te4—Te10xxii60.08 (2)
Te3ix—Rb2—Rb2xi52.093 (14)Ti3xix—Te4—Rb1xxii162.05 (3)
Te2vi—Rb2—Rb2xi97.80 (2)Ti2xix—Te4—Rb1xxii122.22 (3)
Te11x—Rb2—Rb2xi91.654 (19)Te10xxii—Te4—Rb1xxii71.675 (16)
Ti3vi—Rb2—Rb2xi61.36 (2)Ti3xix—Te4—Rb3xxiii77.96 (3)
Te5—Rb2—Rb1vi46.889 (12)Ti2xix—Te4—Rb3xxiii99.19 (3)
Te1v—Rb2—Rb1vi130.989 (19)Te10xxii—Te4—Rb3xxiii64.290 (14)
Te1vi—Rb2—Rb1vi111.556 (17)Rb1xxii—Te4—Rb3xxiii85.778 (16)
Te8v—Rb2—Rb1vi77.309 (15)Ti1x—Te5—Te10x57.25 (2)
Te7vii—Rb2—Rb1vi62.189 (13)Ti1x—Te5—Te657.38 (2)
Te3viii—Rb2—Rb1vi155.812 (19)Te10x—Te5—Te6114.596 (16)
Te3ix—Rb2—Rb1vi92.858 (16)Ti1x—Te5—Te9xxiv57.28 (2)
Te2vi—Rb2—Rb1vi48.719 (12)Te10x—Te5—Te9xxiv71.193 (13)
Te11x—Rb2—Rb1vi123.228 (18)Te6—Te5—Te9xxiv76.485 (13)
Ti3vi—Rb2—Rb1vi85.09 (2)Ti1x—Te5—Rb2116.12 (3)
Rb2xi—Rb2—Rb1vi143.06 (2)Te10x—Te5—Rb285.367 (17)
Te1viii—Rb3—Te5xii97.997 (17)Te6—Te5—Rb2121.986 (18)
Te1viii—Rb3—Te2xiii158.05 (2)Te9xxiv—Te5—Rb2155.307 (19)
Te5xii—Rb3—Te2xiii64.946 (14)Ti1x—Te5—Rb3xxv116.88 (3)
Te1viii—Rb3—Te8132.55 (2)Te10x—Te5—Rb3xxv75.625 (15)
Te5xii—Rb3—Te8117.984 (19)Te6—Te5—Rb3xxv139.379 (18)
Te2xiii—Rb3—Te869.391 (14)Te9xxiv—Te5—Rb3xxv70.014 (14)
Te1viii—Rb3—Te10xiv79.693 (15)Rb2—Te5—Rb3xxv97.240 (17)
Te5xii—Rb3—Te10xiv137.31 (2)Ti1x—Te5—Rb1vi124.47 (3)
Te2xiii—Rb3—Te10xiv103.094 (17)Te10x—Te5—Rb1vi173.735 (19)
Te8—Rb3—Te10xiv91.631 (17)Te6—Te5—Rb1vi67.258 (15)
Te1viii—Rb3—Te7xiii73.136 (15)Te9xxiv—Te5—Rb1vi114.984 (17)
Te5xii—Rb3—Te7xiii109.062 (18)Rb2—Te5—Rb1vi88.651 (18)
Te2xiii—Rb3—Te7xiii124.175 (19)Rb3xxv—Te5—Rb1vi107.047 (18)
Te8—Rb3—Te7xiii66.713 (14)Ti3x—Te6—Ti1x67.96 (3)
Te10xiv—Rb3—Te7xiii110.817 (18)Ti3x—Te6—Te11iv58.82 (2)
Te1viii—Rb3—Te11xiii126.353 (19)Ti1x—Te6—Te11iv108.40 (3)
Te5xii—Rb3—Te11xiii69.434 (14)Ti3x—Te6—Te5109.96 (3)
Te2xiii—Rb3—Te11xiii62.697 (13)Ti1x—Te6—Te555.16 (2)
Te8—Rb3—Te11xiii53.030 (12)Te11iv—Te6—Te5163.551 (18)
Te10xiv—Rb3—Te11xiii144.24 (2)Ti3x—Te6—Rb1vi136.74 (3)
Te7xiii—Rb3—Te11xiii63.811 (13)Ti1x—Te6—Rb1vi118.40 (3)
Te1viii—Rb3—Te9viii64.901 (13)Te11iv—Te6—Rb1vi133.044 (18)
Te5xii—Rb3—Te9viii49.520 (12)Te5—Te6—Rb1vi63.388 (14)
Te2xiii—Rb3—Te9viii107.858 (18)Ti3x—Te6—Rb1iv101.67 (3)
Te8—Rb3—Te9viii115.694 (18)Ti1x—Te6—Rb1iv84.16 (2)
Te10xiv—Rb3—Te9viii144.208 (19)Te11iv—Te6—Rb1iv65.225 (14)
Te7xiii—Rb3—Te9viii64.965 (13)Te5—Te6—Rb1iv108.930 (16)
Te11xiii—Rb3—Te9viii68.658 (14)Rb1vi—Te6—Rb1iv121.226 (13)
Te1viii—Rb3—Te4xv122.723 (19)Te3xix—Te7—Ti1xxii59.19 (2)
Te5xii—Rb3—Te4xv124.991 (18)Te3xix—Te7—Ti2xix110.53 (3)
Te2xiii—Rb3—Te4xv64.770 (13)Ti1xxii—Te7—Ti2xix75.43 (3)
Te8—Rb3—Te4xv60.595 (13)Te3xix—Te7—Rb2xxvi73.512 (15)
Te10xiv—Rb3—Te4xv43.230 (11)Ti1xxii—Te7—Rb2xxvi97.80 (3)
Te7xiii—Rb3—Te4xv116.689 (18)Ti2xix—Te7—Rb2xxvi167.52 (3)
Te11xiii—Rb3—Te4xv104.933 (17)Te3xix—Te7—Rb3xix76.339 (16)
Te9viii—Rb3—Te4xv172.323 (19)Ti1xxii—Te7—Rb3xix122.75 (3)
Te1viii—Rb3—Te1xiii99.854 (17)Ti2xix—Te7—Rb3xix90.10 (2)
Te5xii—Rb3—Te1xiii81.100 (15)Rb2xxvi—Te7—Rb3xix102.365 (17)
Te2xiii—Rb3—Te1xiii65.213 (13)Te9—Te8—Ti259.89 (2)
Te8—Rb3—Te1xiii114.617 (17)Te9—Te8—Rb2v103.099 (18)
Te10xiv—Rb3—Te1xiii57.840 (12)Ti2—Te8—Rb2v86.74 (3)
Te7xiii—Rb3—Te1xiii168.12 (2)Te9—Te8—Rb3123.725 (18)
Te11xiii—Rb3—Te1xiii127.084 (18)Ti2—Te8—Rb393.47 (3)
Te9viii—Rb3—Te1xiii121.363 (18)Rb2v—Te8—Rb3125.485 (18)
Te4xv—Rb3—Te1xiii58.575 (12)Te9—Te8—Rb1xiv67.419 (15)
Te1viii—Rb3—Te363.128 (13)Ti2—Te8—Rb1xiv115.74 (3)
Te5xii—Rb3—Te3146.051 (19)Rb2v—Te8—Rb1xiv140.857 (18)
Te2xiii—Rb3—Te3138.575 (19)Rb3—Te8—Rb1xiv86.698 (16)
Te8—Rb3—Te369.991 (13)Ti2—Te9—Te860.16 (2)
Te10xiv—Rb3—Te370.273 (13)Ti2—Te9—Ti1xviii75.53 (3)
Te7xiii—Rb3—Te340.611 (11)Te8—Te9—Ti1xviii109.25 (3)
Te11xiii—Rb3—Te398.170 (16)Ti2—Te9—Te5xxiv103.17 (3)
Te9viii—Rb3—Te396.647 (15)Te8—Te9—Te5xxiv160.604 (18)
Te4xv—Rb3—Te388.348 (15)Ti1xviii—Te9—Te5xxiv53.75 (2)
Te1xiii—Rb3—Te3127.757 (18)Ti2—Te9—Rb1xiv118.48 (3)
Te1viii—Rb3—Te10v57.726 (12)Te8—Te9—Rb1xiv70.589 (15)
Te5xii—Rb3—Te10v46.113 (11)Ti1xviii—Te9—Rb1xiv89.24 (3)
Te2xiii—Rb3—Te10v100.850 (17)Te5xxiv—Te9—Rb1xiv114.428 (16)
Te8—Rb3—Te10v163.77 (2)Ti2—Te9—Rb3xx90.52 (3)
Te10xiv—Rb3—Te10v103.451 (16)Te8—Te9—Rb3xx125.004 (17)
Te7xiii—Rb3—Te10v112.171 (17)Ti1xviii—Te9—Rb3xx105.88 (3)
Te11xiii—Rb3—Te10v111.243 (17)Te5xxiv—Te9—Rb3xx60.466 (13)
Te9viii—Rb3—Te10v53.625 (11)Rb1xiv—Te9—Rb3xx150.169 (17)
Te4xv—Rb3—Te10v128.166 (18)Ti1—Te10—Ti2xvi75.24 (3)
Te1xiii—Rb3—Te10v70.064 (13)Ti1—Te10—Te4iii108.16 (3)
Te3—Rb3—Te10v120.557 (17)Ti2xvi—Te10—Te4iii59.21 (2)
Te2—Ti1—Te3xvi96.92 (3)Ti1—Te10—Te5xvii55.36 (2)
Te2—Ti1—Te5xvii97.68 (3)Ti2xvi—Te10—Te5xvii103.80 (3)
Te3xvi—Ti1—Te5xvii146.99 (4)Te4iii—Te10—Te5xvii160.715 (18)
Te2—Ti1—Te7iii94.60 (3)Ti1—Te10—Rb3ii178.25 (3)
Te3xvi—Ti1—Te7iii60.10 (2)Ti2xvi—Te10—Rb3ii103.91 (3)
Te5xvii—Ti1—Te7iii146.99 (4)Te4iii—Te10—Rb3ii72.480 (15)
Te2—Ti1—Te1091.40 (3)Te5xvii—Te10—Rb3ii123.687 (17)
Te3xvi—Ti1—Te10141.48 (4)Ti1—Te10—Rb195.67 (3)
Te5xvii—Ti1—Te1067.39 (3)Ti2xvi—Te10—Rb1115.15 (3)
Te7iii—Ti1—Te1081.83 (3)Te4iii—Te10—Rb164.136 (15)
Te2—Ti1—Te6xvii92.43 (3)Te5xvii—Te10—Rb1123.012 (17)
Te3xvi—Ti1—Te6xvii82.50 (3)Rb3ii—Te10—Rb186.081 (16)
Te5xvii—Ti1—Te6xvii67.46 (3)Ti1—Te10—Rb3v101.81 (3)
Te7iii—Ti1—Te6xvii142.49 (4)Ti2xvi—Te10—Rb3v85.17 (2)
Te10—Ti1—Te6xvii134.80 (4)Te4iii—Te10—Rb3v123.665 (16)
Te2—Ti1—Te9xvi166.07 (4)Te5xvii—Te10—Rb3v58.262 (13)
Te3xvi—Ti1—Te9xvi96.63 (3)Rb3ii—Te10—Rb3v76.548 (16)
Te5xvii—Ti1—Te9xvi68.97 (3)Rb1—Te10—Rb3v156.188 (17)
Te7iii—Ti1—Te9xvi94.94 (3)Ti3xix—Te11—Ti2xix68.25 (3)
Te10—Ti1—Te9xvi79.95 (3)Ti3xix—Te11—Te6iv59.22 (2)
Te6xvii—Ti1—Te9xvi86.13 (3)Ti2xix—Te11—Te6iv110.00 (3)
Te2—Ti1—Ti352.54 (3)Ti3xix—Te11—Rb3xix152.27 (3)
Te3xvi—Ti1—Ti358.82 (3)Ti2xix—Te11—Rb3xix88.43 (3)
Te5xvii—Ti1—Ti3109.65 (4)Te6iv—Te11—Rb3xix120.142 (17)
Te7iii—Ti1—Ti3102.15 (4)Ti3xix—Te11—Rb1107.10 (3)
Te10—Ti1—Ti3143.78 (4)Ti2xix—Te11—Rb1170.19 (3)
Te6xvii—Ti1—Ti355.27 (3)Te6iv—Te11—Rb173.021 (15)
Te9xvi—Ti1—Ti3134.44 (4)Rb3xix—Te11—Rb198.112 (16)
Te1—Ti2—Te994.73 (3)Ti3xix—Te11—Rb2xvii80.34 (3)
Te1—Ti2—Te8104.94 (4)Ti2xix—Te11—Rb2xvii77.52 (2)
Te9—Ti2—Te859.95 (2)Te6iv—Te11—Rb2xvii129.173 (17)
Te1—Ti2—Te4xiii89.53 (3)Rb3xix—Te11—Rb2xvii110.034 (16)
Te9—Ti2—Te4xiii141.73 (4)Rb1—Te11—Rb2xvii93.309 (16)
Symmetry codes: (i) x, y+1, z; (ii) x, y, z+1; (iii) x1, y, z; (iv) x+1, y+1, z+2; (v) x, y+1, z+1; (vi) x, y1, z; (vii) x1, y1, z; (viii) x+1/2, y1/2, z+1/2; (ix) x1/2, y+1/2, z+1/2; (x) x+1/2, y1/2, z+3/2; (xi) x, y, z+1; (xii) x1/2, y+1/2, z1/2; (xiii) x1/2, y+3/2, z1/2; (xiv) x, y, z1; (xv) x1, y, z1; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+1/2, y+1/2, z+3/2; (xviii) x+1/2, y+3/2, z1/2; (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, z1/2; (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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