Rb₃Ti₃Te₁₁

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 [Ti₃Te₁₁^3-] 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.

Computing details

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'

Crystal data

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) Å^3	Needle, black
Z = 4	0.15 × 0.02 × 0.02 mm

Data collection

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

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.028	Secondary atom site location: difference Fourier map
wR(F^2) = 0.066	w = 1/[1.00000 + (0.0400Fo^2)^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

Special details

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 (Ų)

	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)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
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)

Geometric parameters (Å, º)

Rb1—Te5^i	3.7012 (8)	Ti3—Te6^xvii	2.8143 (11)
Rb1—Te3^ii	3.7101 (8)	Ti3—Te4^xiii	2.8162 (12)
Rb1—Te4^iii	3.7270 (8)	Ti3—Te3^xvi	2.9454 (11)
Rb1—Te6^i	3.8179 (8)	Ti3—Rb2^i	4.2817 (13)
Rb1—Te9^ii	3.8518 (8)	Ti3—Rb3^xix	4.4005 (13)
Rb1—Te2	3.8756 (8)	Te1—Rb2^v	3.6177 (8)
Rb1—Te10	3.9319 (8)	Te1—Rb3^xx	3.6248 (7)
Rb1—Te8^ii	3.9345 (8)	Te1—Rb2^i	3.6413 (8)
Rb1—Te11	3.9415 (8)	Te1—Rb3^xix	4.0770 (8)
Rb1—Te6^iv	4.1518 (8)	Te2—Rb3^xix	3.7040 (8)
Rb1—Rb2^i	5.0685 (10)	Te2—Rb2^i	4.0602 (8)
Rb1—Rb3^ii	5.2765 (9)	Te3—Ti1^xviii	2.7844 (11)
Rb2—Te5	3.5510 (8)	Te3—Te7^xiii	2.8103 (6)
Rb2—Te1^v	3.6177 (8)	Te3—Ti3^xviii	2.9454 (11)
Rb2—Te1^vi	3.6413 (8)	Te3—Rb1^xiv	3.7101 (8)
Rb2—Te8^v	3.6572 (8)	Te3—Rb2^xx	3.8476 (8)
Rb2—Te7^vii	3.7932 (8)	Te3—Rb2^xxi	4.0293 (8)
Rb2—Te3^viii	3.8476 (8)	Te4—Ti3^xix	2.8162 (12)
Rb2—Te3^ix	4.0293 (8)	Te4—Ti2^xix	2.8435 (11)
Rb2—Te2^vi	4.0602 (8)	Te4—Te10^xxii	2.8870 (6)
Rb2—Te11^x	4.1034 (8)	Te4—Rb1^xxii	3.7270 (8)
Rb2—Ti3^vi	4.2817 (13)	Te4—Rb3^xxiii	4.0196 (8)
Rb2—Rb2^xi	4.6428 (13)	Te5—Ti1^x	2.7910 (11)
Rb2—Rb1^vi	5.0685 (10)	Te5—Te10^x	3.1316 (6)
Rb3—Te1^viii	3.6248 (7)	Te5—Te6	3.1411 (6)
Rb3—Te5^xii	3.6954 (8)	Te5—Te9^xxiv	3.2306 (6)
Rb3—Te2^xiii	3.7040 (7)	Te5—Rb3^xxv	3.6954 (8)
Rb3—Te8	3.7498 (8)	Te5—Rb1^vi	3.7012 (8)
Rb3—Te10^xiv	3.7978 (8)	Te6—Ti3^x	2.8143 (11)
Rb3—Te7^xiii	3.8485 (8)	Te6—Ti1^x	2.8644 (11)
Rb3—Te11^xiii	3.9324 (8)	Te6—Te11^iv	2.8909 (6)
Rb3—Te9^viii	3.9915 (7)	Te6—Rb1^vi	3.8179 (8)
Rb3—Te4^xv	4.0196 (8)	Te6—Rb1^iv	4.1518 (8)
Rb3—Te1^xiii	4.0770 (8)	Te7—Te3^xix	2.8103 (6)
Rb3—Te3	4.1953 (8)	Te7—Ti1^xxii	2.8275 (11)
Rb3—Te10^v	4.2091 (8)	Te7—Ti2^xix	2.8815 (11)
Ti1—Te2	2.7187 (11)	Te7—Rb2^xxvi	3.7932 (8)
Ti1—Te3^xvi	2.7844 (11)	Te7—Rb3^xix	3.8485 (8)
Ti1—Te5^xvii	2.7910 (11)	Te8—Te9	2.7910 (6)
Ti1—Te7^iii	2.8275 (11)	Te8—Rb2^v	3.6572 (8)
Ti1—Te10	2.8531 (11)	Te8—Rb1^xiv	3.9345 (8)
Ti1—Te6^xvii	2.8644 (11)	Te9—Ti1^xviii	2.9121 (11)
Ti1—Te9^xvi	2.9121 (11)	Te9—Te5^xxiv	3.2306 (6)
Ti1—Ti3	3.1741 (15)	Te9—Rb1^xiv	3.8518 (8)
Ti2—Te1	2.7813 (11)	Te9—Rb3^xx	3.9915 (7)
Ti2—Te9	2.7893 (11)	Te10—Ti2^xvi	2.8691 (11)
Ti2—Te8	2.7970 (11)	Te10—Te4^iii	2.8870 (6)
Ti2—Te4^xiii	2.8435 (11)	Te10—Te5^xvii	3.1316 (6)
Ti2—Te10^xviii	2.8691 (11)	Te10—Rb3^ii	3.7978 (8)
Ti2—Te7^xiii	2.8815 (11)	Te10—Rb3^v	4.2091 (8)
Ti2—Te11^xiii	2.8829 (11)	Te11—Ti3^xix	2.8024 (11)
Ti2—Ti3	3.1903 (15)	Te11—Ti2^xix	2.8829 (11)
Ti3—Te1	2.6363 (11)	Te11—Te6^iv	2.8909 (6)
Ti3—Te2	2.6399 (12)	Te11—Rb3^xix	3.9324 (8)
Ti3—Te11^xiii	2.8024 (11)	Te11—Rb2^xvii	4.1034 (8)
Te5^i—Rb1—Te3^ii	122.03 (2)	Te8—Ti2—Te4^xiii	153.85 (4)
Te5^i—Rb1—Te4^iii	131.31 (2)	Te1—Ti2—Te10^xviii	84.95 (3)
Te3^ii—Rb1—Te4^iii	100.689 (18)	Te9—Ti2—Te10^xviii	81.77 (3)
Te5^i—Rb1—Te6^i	49.355 (12)	Te8—Ti2—Te10^xviii	140.81 (4)
Te3^ii—Rb1—Te6^i	112.714 (19)	Te4^xiii—Ti2—Te10^xviii	60.71 (2)
Te4^iii—Rb1—Te6^i	135.02 (2)	Te1—Ti2—Te7^xiii	160.25 (4)
Te5^i—Rb1—Te9^ii	112.944 (18)	Te9—Ti2—Te7^xiii	96.47 (3)
Te3^ii—Rb1—Te9^ii	68.454 (14)	Te8—Ti2—Te7^xiii	94.75 (3)
Te4^iii—Rb1—Te9^ii	103.204 (18)	Te4^xiii—Ti2—Te7^xiii	71.67 (3)
Te6^i—Rb1—Te9^ii	65.202 (13)	Te10^xviii—Ti2—Te7^xiii	80.63 (3)
Te5^i—Rb1—Te2	63.197 (14)	Te1—Ti2—Te11^xiii	92.78 (3)
Te3^ii—Rb1—Te2	95.246 (18)	Te9—Ti2—Te11^xiii	134.11 (4)
Te4^iii—Rb1—Te2	92.985 (17)	Te8—Ti2—Te11^xiii	74.37 (3)
Te6^i—Rb1—Te2	112.180 (18)	Te4^xiii—Ti2—Te11^xiii	83.42 (3)
Te9^ii—Rb1—Te2	158.70 (2)	Te10^xviii—Ti2—Te11^xiii	144.04 (4)
Te5^i—Rb1—Te10	123.42 (2)	Te7^xiii—Ti2—Te11^xiii	91.04 (3)
Te3^ii—Rb1—Te10	74.174 (15)	Te1—Ti2—Ti3	51.84 (3)
Te4^iii—Rb1—Te10	44.189 (11)	Te9—Ti2—Ti3	146.13 (4)
Te6^i—Rb1—Te10	171.67 (2)	Te8—Ti2—Ti3	117.78 (4)
Te9^ii—Rb1—Te10	122.788 (19)	Te4^xiii—Ti2—Ti3	55.28 (3)
Te2—Rb1—Te10	61.443 (13)	Te10^xviii—Ti2—Ti3	98.35 (4)
Te5^i—Rb1—Te8^ii	147.67 (2)	Te7^xiii—Ti2—Ti3	117.08 (4)
Te3^ii—Rb1—Te8^ii	73.381 (15)	Te11^xiii—Ti2—Ti3	54.68 (3)
Te4^iii—Rb1—Te8^ii	61.589 (13)	Te1—Ti3—Te2	105.67 (4)
Te6^i—Rb1—Te8^ii	99.388 (17)	Te1—Ti3—Te11^xiii	97.86 (4)
Te9^ii—Rb1—Te8^ii	41.993 (11)	Te2—Ti3—Te11^xiii	155.76 (4)
Te2—Rb1—Te8^ii	148.37 (2)	Te1—Ti3—Te6^xvii	158.51 (5)
Te10—Rb1—Te8^ii	86.952 (15)	Te2—Ti3—Te6^xvii	95.28 (3)
Te5^i—Rb1—Te11	69.276 (14)	Te11^xiii—Ti3—Te6^xvii	61.95 (3)
Te3^ii—Rb1—Te11	53.886 (13)	Te1—Ti3—Te4^xiii	93.12 (3)
Te4^iii—Rb1—Te11	137.47 (2)	Te2—Ti3—Te4^xiii	98.84 (4)
Te6^i—Rb1—Te11	87.394 (15)	Te11^xiii—Ti3—Te4^xiii	85.40 (3)
Te9^ii—Rb1—Te11	97.601 (17)	Te6^xvii—Ti3—Te4^xiii	78.75 (3)
Te2—Rb1—Te11	61.164 (13)	Te1—Ti3—Te3^xvi	101.94 (4)
Te10—Rb1—Te11	93.465 (17)	Te2—Ti3—Te3^xvi	94.88 (3)
Te8^ii—Rb1—Te11	124.564 (19)	Te11^xiii—Ti3—Te3^xvi	74.30 (3)
Te5^i—Rb1—Te6^iv	74.962 (14)	Te6^xvii—Ti3—Te3^xvi	80.56 (3)
Te3^ii—Rb1—Te6^iv	56.224 (12)	Te4^xiii—Ti3—Te3^xvi	156.08 (4)
Te4^iii—Rb1—Te6^iv	153.72 (2)	Te1—Ti3—Ti1	141.18 (5)
Te6^i—Rb1—Te6^iv	58.774 (13)	Te2—Ti3—Ti1	54.83 (3)
Te9^ii—Rb1—Te6^iv	58.914 (12)	Te11^xiii—Ti3—Ti1	102.54 (4)
Te2—Rb1—Te6^iv	100.942 (17)	Te6^xvii—Ti3—Ti1	56.77 (3)
Te10—Rb1—Te6^iv	126.147 (19)	Te4^xiii—Ti3—Ti1	120.95 (4)
Te8^ii—Rb1—Te6^iv	96.857 (16)	Te3^xvi—Ti3—Ti1	53.97 (3)
Te11—Rb1—Te6^iv	41.754 (11)	Te1—Ti3—Ti2	56.06 (3)
Te5^i—Rb1—Rb2^i	44.460 (12)	Te2—Ti3—Ti2	143.50 (5)
Te3^ii—Rb1—Rb2^i	146.87 (2)	Te11^xiii—Ti3—Ti2	57.07 (3)
Te4^iii—Rb1—Rb2^i	87.055 (16)	Te6^xvii—Ti3—Ti2	103.76 (4)
Te6^i—Rb1—Rb2^i	81.121 (15)	Te4^xiii—Ti3—Ti2	56.10 (3)
Te9^ii—Rb1—Rb2^i	141.377 (19)	Te3^xvi—Ti3—Ti2	118.58 (4)
Te2—Rb1—Rb2^i	51.931 (13)	Ti1—Ti3—Ti2	158.56 (5)
Te10—Rb1—Rb2^i	90.569 (16)	Te1—Ti3—Rb2^i	57.82 (2)
Te8^ii—Rb1—Rb2^i	136.182 (19)	Te2—Ti3—Rb2^i	67.04 (3)
Te11—Rb1—Rb2^i	99.254 (16)	Te11^xiii—Ti3—Rb2^i	123.67 (3)
Te6^iv—Rb1—Rb2^i	119.064 (16)	Te6^xvii—Ti3—Rb2^i	138.30 (4)
Te5^i—Rb1—Rb3^ii	167.00 (2)	Te4^xiii—Ti3—Rb2^i	138.99 (4)
Te3^ii—Rb1—Rb3^ii	52.183 (12)	Te3^xvi—Ti3—Rb2^i	64.72 (2)
Te4^iii—Rb1—Rb3^ii	49.439 (12)	Ti1—Ti3—Rb2^i	83.43 (3)
Te6^i—Rb1—Rb3^ii	141.913 (19)	Ti2—Ti3—Rb2^i	112.59 (3)
Te9^ii—Rb1—Rb3^ii	76.909 (14)	Te1—Ti3—Rb3^xix	65.31 (2)
Te2—Rb1—Rb3^ii	104.460 (16)	Te2—Ti3—Rb3^xix	57.12 (2)
Te10—Rb1—Rb3^ii	45.896 (11)	Te11^xiii—Ti3—Rb3^xix	142.10 (4)
Te8^ii—Rb1—Rb3^ii	45.192 (11)	Te6^xvii—Ti3—Rb3^xix	125.55 (3)
Te11—Rb1—Rb3^ii	101.796 (16)	Te4^xiii—Ti3—Rb3^xix	63.30 (2)
Te6^iv—Rb1—Rb3^ii	105.033 (16)	Te3^xvi—Ti3—Rb3^xix	140.17 (4)
Rb2^i—Rb1—Rb3^ii	132.127 (17)	Ti1—Ti3—Rb3^xix	111.53 (3)
Te5—Rb2—Te1^v	169.08 (2)	Ti2—Ti3—Rb3^xix	86.64 (3)
Te5—Rb2—Te1^vi	89.440 (17)	Rb2^i—Ti3—Rb3^xix	77.55 (2)
Te1^v—Rb2—Te1^vi	100.478 (18)	Ti3—Te1—Ti2	72.10 (3)
Te5—Rb2—Te8^v	94.612 (18)	Ti3—Te1—Rb2^v	92.38 (3)
Te1^v—Rb2—Te8^v	74.900 (15)	Ti2—Te1—Rb2^v	87.76 (3)
Te1^vi—Rb2—Te8^v	170.46 (2)	Ti3—Te1—Rb3^xx	155.17 (3)
Te5—Rb2—Te7^vii	107.818 (19)	Ti2—Te1—Rb3^xx	98.67 (3)
Te1^v—Rb2—Te7^vii	73.879 (15)	Rb2^v—Te1—Rb3^xx	110.593 (18)
Te1^vi—Rb2—Te7^vii	106.605 (19)	Ti3—Te1—Rb2^i	84.39 (3)
Te8^v—Rb2—Te7^vii	80.390 (16)	Ti2—Te1—Rb2^i	152.78 (3)
Te5—Rb2—Te3^viii	109.427 (19)	Rb2^v—Te1—Rb2^i	79.522 (18)
Te1^v—Rb2—Te3^viii	71.023 (14)	Rb3^xx—Te1—Rb2^i	108.304 (18)
Te1^vi—Rb2—Te3^viii	66.727 (14)	Ti3—Te1—Rb3^xix	78.71 (3)
Te8^v—Rb2—Te3^viii	103.747 (18)	Ti2—Te1—Rb3^xix	98.97 (3)
Te7^vii—Rb2—Te3^viii	141.99 (2)	Rb2^v—Te1—Rb3^xix	166.473 (18)
Te5—Rb2—Te3^ix	123.722 (19)	Rb3^xx—Te1—Rb3^xix	80.146 (17)
Te1^v—Rb2—Te3^ix	64.977 (14)	Rb2^i—Te1—Rb3^xix	89.405 (16)
Te1^vi—Rb2—Te3^ix	68.707 (14)	Ti3—Te2—Ti1	72.63 (3)
Te8^v—Rb2—Te3^ix	115.492 (18)	Ti3—Te2—Rb3^xix	86.12 (3)
Te7^vii—Rb2—Te3^ix	41.973 (11)	Ti1—Te2—Rb3^xix	157.28 (3)
Te3^viii—Rb2—Te3^ix	107.810 (17)	Ti3—Te2—Rb1	153.55 (3)
Te5—Rb2—Te2^vi	62.505 (13)	Ti1—Te2—Rb1	99.29 (3)
Te1^v—Rb2—Te2^vi	125.80 (2)	Rb3^xix—Te2—Rb1	103.358 (16)
Te1^vi—Rb2—Te2^vi	65.919 (14)	Ti3—Te2—Rb2^i	76.18 (3)
Te8^v—Rb2—Te2^vi	123.589 (19)	Ti1—Te2—Rb2^i	93.69 (3)
Te7^vii—Rb2—Te2^vi	62.436 (14)	Rb3^xix—Te2—Rb2^i	88.795 (16)
Te3^viii—Rb2—Te2^vi	131.916 (19)	Rb1—Te2—Rb2^i	79.350 (16)
Te3^ix—Rb2—Te2^vi	61.220 (13)	Ti1^xviii—Te3—Te7^xiii	60.71 (2)
Te5—Rb2—Te11^x	107.469 (18)	Ti1^xviii—Te3—Ti3^xviii	67.21 (3)
Te1^v—Rb2—Te11^x	63.813 (13)	Te7^xiii—Te3—Ti3^xviii	108.58 (3)
Te1^vi—Rb2—Te11^x	118.375 (19)	Ti1^xviii—Te3—Rb1^xiv	94.17 (3)
Te8^v—Rb2—Te11^x	52.131 (12)	Te7^xiii—Te3—Rb1^xiv	118.867 (18)
Te7^vii—Rb2—Te11^x	121.867 (18)	Ti3^xviii—Te3—Rb1^xiv	109.91 (3)
Te3^viii—Rb2—Te11^x	51.679 (12)	Ti1^xviii—Te3—Rb2^xx	149.94 (3)
Te3^ix—Rb2—Te11^x	128.709 (18)	Te7^xiii—Te3—Rb2^xx	128.682 (18)
Te2^vi—Rb2—Te11^x	169.69 (2)	Ti3^xviii—Te3—Rb2^xx	83.29 (2)
Te5—Rb2—Ti3^vi	90.24 (2)	Rb1^xiv—Te3—Rb2^xx	101.458 (18)
Te1^v—Rb2—Ti3^vi	100.38 (2)	Ti1^xviii—Te3—Rb2^xxi	93.34 (3)
Te1^vi—Rb2—Ti3^vi	37.790 (17)	Te7^xiii—Te3—Rb2^xxi	64.515 (14)
Te8^v—Rb2—Ti3^vi	150.50 (2)	Ti3^xviii—Te3—Rb2^xxi	73.91 (2)
Te7^vii—Rb2—Ti3^vi	70.445 (19)	Rb1^xiv—Te3—Rb2^xxi	172.439 (18)
Te3^viii—Rb2—Ti3^vi	101.97 (2)	Rb2^xx—Te3—Rb2^xxi	72.190 (17)
Te3^ix—Rb2—Ti3^vi	41.373 (17)	Ti1^xviii—Te3—Rb3	113.26 (3)
Te2^vi—Rb2—Ti3^vi	36.777 (17)	Te7^xiii—Te3—Rb3	63.049 (14)
Te11^x—Rb2—Ti3^vi	151.61 (2)	Ti3^xviii—Te3—Rb3	166.58 (3)
Te5—Rb2—Rb2^xi	139.24 (2)	Rb1^xiv—Te3—Rb3	83.502 (15)
Te1^v—Rb2—Rb2^xi	50.463 (14)	Rb2^xx—Te3—Rb3	94.058 (15)
Te1^vi—Rb2—Rb2^xi	50.015 (14)	Rb2^xxi—Te3—Rb3	92.740 (15)
Te8^v—Rb2—Rb2^xi	124.78 (2)	Ti3^xix—Te4—Ti2^xix	68.62 (3)
Te7^vii—Rb2—Rb2^xi	90.44 (2)	Ti3^xix—Te4—Te10^xxii	107.18 (3)
Te3^viii—Rb2—Rb2^xi	55.717 (15)	Ti2^xix—Te4—Te10^xxii	60.08 (2)
Te3^ix—Rb2—Rb2^xi	52.093 (14)	Ti3^xix—Te4—Rb1^xxii	162.05 (3)
Te2^vi—Rb2—Rb2^xi	97.80 (2)	Ti2^xix—Te4—Rb1^xxii	122.22 (3)
Te11^x—Rb2—Rb2^xi	91.654 (19)	Te10^xxii—Te4—Rb1^xxii	71.675 (16)
Ti3^vi—Rb2—Rb2^xi	61.36 (2)	Ti3^xix—Te4—Rb3^xxiii	77.96 (3)
Te5—Rb2—Rb1^vi	46.889 (12)	Ti2^xix—Te4—Rb3^xxiii	99.19 (3)
Te1^v—Rb2—Rb1^vi	130.989 (19)	Te10^xxii—Te4—Rb3^xxiii	64.290 (14)
Te1^vi—Rb2—Rb1^vi	111.556 (17)	Rb1^xxii—Te4—Rb3^xxiii	85.778 (16)
Te8^v—Rb2—Rb1^vi	77.309 (15)	Ti1^x—Te5—Te10^x	57.25 (2)
Te7^vii—Rb2—Rb1^vi	62.189 (13)	Ti1^x—Te5—Te6	57.38 (2)
Te3^viii—Rb2—Rb1^vi	155.812 (19)	Te10^x—Te5—Te6	114.596 (16)
Te3^ix—Rb2—Rb1^vi	92.858 (16)	Ti1^x—Te5—Te9^xxiv	57.28 (2)
Te2^vi—Rb2—Rb1^vi	48.719 (12)	Te10^x—Te5—Te9^xxiv	71.193 (13)
Te11^x—Rb2—Rb1^vi	123.228 (18)	Te6—Te5—Te9^xxiv	76.485 (13)
Ti3^vi—Rb2—Rb1^vi	85.09 (2)	Ti1^x—Te5—Rb2	116.12 (3)
Rb2^xi—Rb2—Rb1^vi	143.06 (2)	Te10^x—Te5—Rb2	85.367 (17)
Te1^viii—Rb3—Te5^xii	97.997 (17)	Te6—Te5—Rb2	121.986 (18)
Te1^viii—Rb3—Te2^xiii	158.05 (2)	Te9^xxiv—Te5—Rb2	155.307 (19)
Te5^xii—Rb3—Te2^xiii	64.946 (14)	Ti1^x—Te5—Rb3^xxv	116.88 (3)
Te1^viii—Rb3—Te8	132.55 (2)	Te10^x—Te5—Rb3^xxv	75.625 (15)
Te5^xii—Rb3—Te8	117.984 (19)	Te6—Te5—Rb3^xxv	139.379 (18)
Te2^xiii—Rb3—Te8	69.391 (14)	Te9^xxiv—Te5—Rb3^xxv	70.014 (14)
Te1^viii—Rb3—Te10^xiv	79.693 (15)	Rb2—Te5—Rb3^xxv	97.240 (17)
Te5^xii—Rb3—Te10^xiv	137.31 (2)	Ti1^x—Te5—Rb1^vi	124.47 (3)
Te2^xiii—Rb3—Te10^xiv	103.094 (17)	Te10^x—Te5—Rb1^vi	173.735 (19)
Te8—Rb3—Te10^xiv	91.631 (17)	Te6—Te5—Rb1^vi	67.258 (15)
Te1^viii—Rb3—Te7^xiii	73.136 (15)	Te9^xxiv—Te5—Rb1^vi	114.984 (17)
Te5^xii—Rb3—Te7^xiii	109.062 (18)	Rb2—Te5—Rb1^vi	88.651 (18)
Te2^xiii—Rb3—Te7^xiii	124.175 (19)	Rb3^xxv—Te5—Rb1^vi	107.047 (18)
Te8—Rb3—Te7^xiii	66.713 (14)	Ti3^x—Te6—Ti1^x	67.96 (3)
Te10^xiv—Rb3—Te7^xiii	110.817 (18)	Ti3^x—Te6—Te11^iv	58.82 (2)
Te1^viii—Rb3—Te11^xiii	126.353 (19)	Ti1^x—Te6—Te11^iv	108.40 (3)
Te5^xii—Rb3—Te11^xiii	69.434 (14)	Ti3^x—Te6—Te5	109.96 (3)
Te2^xiii—Rb3—Te11^xiii	62.697 (13)	Ti1^x—Te6—Te5	55.16 (2)
Te8—Rb3—Te11^xiii	53.030 (12)	Te11^iv—Te6—Te5	163.551 (18)
Te10^xiv—Rb3—Te11^xiii	144.24 (2)	Ti3^x—Te6—Rb1^vi	136.74 (3)
Te7^xiii—Rb3—Te11^xiii	63.811 (13)	Ti1^x—Te6—Rb1^vi	118.40 (3)
Te1^viii—Rb3—Te9^viii	64.901 (13)	Te11^iv—Te6—Rb1^vi	133.044 (18)
Te5^xii—Rb3—Te9^viii	49.520 (12)	Te5—Te6—Rb1^vi	63.388 (14)
Te2^xiii—Rb3—Te9^viii	107.858 (18)	Ti3^x—Te6—Rb1^iv	101.67 (3)
Te8—Rb3—Te9^viii	115.694 (18)	Ti1^x—Te6—Rb1^iv	84.16 (2)
Te10^xiv—Rb3—Te9^viii	144.208 (19)	Te11^iv—Te6—Rb1^iv	65.225 (14)
Te7^xiii—Rb3—Te9^viii	64.965 (13)	Te5—Te6—Rb1^iv	108.930 (16)
Te11^xiii—Rb3—Te9^viii	68.658 (14)	Rb1^vi—Te6—Rb1^iv	121.226 (13)
Te1^viii—Rb3—Te4^xv	122.723 (19)	Te3^xix—Te7—Ti1^xxii	59.19 (2)
Te5^xii—Rb3—Te4^xv	124.991 (18)	Te3^xix—Te7—Ti2^xix	110.53 (3)
Te2^xiii—Rb3—Te4^xv	64.770 (13)	Ti1^xxii—Te7—Ti2^xix	75.43 (3)
Te8—Rb3—Te4^xv	60.595 (13)	Te3^xix—Te7—Rb2^xxvi	73.512 (15)
Te10^xiv—Rb3—Te4^xv	43.230 (11)	Ti1^xxii—Te7—Rb2^xxvi	97.80 (3)
Te7^xiii—Rb3—Te4^xv	116.689 (18)	Ti2^xix—Te7—Rb2^xxvi	167.52 (3)
Te11^xiii—Rb3—Te4^xv	104.933 (17)	Te3^xix—Te7—Rb3^xix	76.339 (16)
Te9^viii—Rb3—Te4^xv	172.323 (19)	Ti1^xxii—Te7—Rb3^xix	122.75 (3)
Te1^viii—Rb3—Te1^xiii	99.854 (17)	Ti2^xix—Te7—Rb3^xix	90.10 (2)
Te5^xii—Rb3—Te1^xiii	81.100 (15)	Rb2^xxvi—Te7—Rb3^xix	102.365 (17)
Te2^xiii—Rb3—Te1^xiii	65.213 (13)	Te9—Te8—Ti2	59.89 (2)
Te8—Rb3—Te1^xiii	114.617 (17)	Te9—Te8—Rb2^v	103.099 (18)
Te10^xiv—Rb3—Te1^xiii	57.840 (12)	Ti2—Te8—Rb2^v	86.74 (3)
Te7^xiii—Rb3—Te1^xiii	168.12 (2)	Te9—Te8—Rb3	123.725 (18)
Te11^xiii—Rb3—Te1^xiii	127.084 (18)	Ti2—Te8—Rb3	93.47 (3)
Te9^viii—Rb3—Te1^xiii	121.363 (18)	Rb2^v—Te8—Rb3	125.485 (18)
Te4^xv—Rb3—Te1^xiii	58.575 (12)	Te9—Te8—Rb1^xiv	67.419 (15)
Te1^viii—Rb3—Te3	63.128 (13)	Ti2—Te8—Rb1^xiv	115.74 (3)
Te5^xii—Rb3—Te3	146.051 (19)	Rb2^v—Te8—Rb1^xiv	140.857 (18)
Te2^xiii—Rb3—Te3	138.575 (19)	Rb3—Te8—Rb1^xiv	86.698 (16)
Te8—Rb3—Te3	69.991 (13)	Ti2—Te9—Te8	60.16 (2)
Te10^xiv—Rb3—Te3	70.273 (13)	Ti2—Te9—Ti1^xviii	75.53 (3)
Te7^xiii—Rb3—Te3	40.611 (11)	Te8—Te9—Ti1^xviii	109.25 (3)
Te11^xiii—Rb3—Te3	98.170 (16)	Ti2—Te9—Te5^xxiv	103.17 (3)
Te9^viii—Rb3—Te3	96.647 (15)	Te8—Te9—Te5^xxiv	160.604 (18)
Te4^xv—Rb3—Te3	88.348 (15)	Ti1^xviii—Te9—Te5^xxiv	53.75 (2)
Te1^xiii—Rb3—Te3	127.757 (18)	Ti2—Te9—Rb1^xiv	118.48 (3)
Te1^viii—Rb3—Te10^v	57.726 (12)	Te8—Te9—Rb1^xiv	70.589 (15)
Te5^xii—Rb3—Te10^v	46.113 (11)	Ti1^xviii—Te9—Rb1^xiv	89.24 (3)
Te2^xiii—Rb3—Te10^v	100.850 (17)	Te5^xxiv—Te9—Rb1^xiv	114.428 (16)
Te8—Rb3—Te10^v	163.77 (2)	Ti2—Te9—Rb3^xx	90.52 (3)
Te10^xiv—Rb3—Te10^v	103.451 (16)	Te8—Te9—Rb3^xx	125.004 (17)
Te7^xiii—Rb3—Te10^v	112.171 (17)	Ti1^xviii—Te9—Rb3^xx	105.88 (3)
Te11^xiii—Rb3—Te10^v	111.243 (17)	Te5^xxiv—Te9—Rb3^xx	60.466 (13)
Te9^viii—Rb3—Te10^v	53.625 (11)	Rb1^xiv—Te9—Rb3^xx	150.169 (17)
Te4^xv—Rb3—Te10^v	128.166 (18)	Ti1—Te10—Ti2^xvi	75.24 (3)
Te1^xiii—Rb3—Te10^v	70.064 (13)	Ti1—Te10—Te4^iii	108.16 (3)
Te3—Rb3—Te10^v	120.557 (17)	Ti2^xvi—Te10—Te4^iii	59.21 (2)
Te2—Ti1—Te3^xvi	96.92 (3)	Ti1—Te10—Te5^xvii	55.36 (2)
Te2—Ti1—Te5^xvii	97.68 (3)	Ti2^xvi—Te10—Te5^xvii	103.80 (3)
Te3^xvi—Ti1—Te5^xvii	146.99 (4)	Te4^iii—Te10—Te5^xvii	160.715 (18)
Te2—Ti1—Te7^iii	94.60 (3)	Ti1—Te10—Rb3^ii	178.25 (3)
Te3^xvi—Ti1—Te7^iii	60.10 (2)	Ti2^xvi—Te10—Rb3^ii	103.91 (3)
Te5^xvii—Ti1—Te7^iii	146.99 (4)	Te4^iii—Te10—Rb3^ii	72.480 (15)
Te2—Ti1—Te10	91.40 (3)	Te5^xvii—Te10—Rb3^ii	123.687 (17)
Te3^xvi—Ti1—Te10	141.48 (4)	Ti1—Te10—Rb1	95.67 (3)
Te5^xvii—Ti1—Te10	67.39 (3)	Ti2^xvi—Te10—Rb1	115.15 (3)
Te7^iii—Ti1—Te10	81.83 (3)	Te4^iii—Te10—Rb1	64.136 (15)
Te2—Ti1—Te6^xvii	92.43 (3)	Te5^xvii—Te10—Rb1	123.012 (17)
Te3^xvi—Ti1—Te6^xvii	82.50 (3)	Rb3^ii—Te10—Rb1	86.081 (16)
Te5^xvii—Ti1—Te6^xvii	67.46 (3)	Ti1—Te10—Rb3^v	101.81 (3)
Te7^iii—Ti1—Te6^xvii	142.49 (4)	Ti2^xvi—Te10—Rb3^v	85.17 (2)
Te10—Ti1—Te6^xvii	134.80 (4)	Te4^iii—Te10—Rb3^v	123.665 (16)
Te2—Ti1—Te9^xvi	166.07 (4)	Te5^xvii—Te10—Rb3^v	58.262 (13)
Te3^xvi—Ti1—Te9^xvi	96.63 (3)	Rb3^ii—Te10—Rb3^v	76.548 (16)
Te5^xvii—Ti1—Te9^xvi	68.97 (3)	Rb1—Te10—Rb3^v	156.188 (17)
Te7^iii—Ti1—Te9^xvi	94.94 (3)	Ti3^xix—Te11—Ti2^xix	68.25 (3)
Te10—Ti1—Te9^xvi	79.95 (3)	Ti3^xix—Te11—Te6^iv	59.22 (2)
Te6^xvii—Ti1—Te9^xvi	86.13 (3)	Ti2^xix—Te11—Te6^iv	110.00 (3)
Te2—Ti1—Ti3	52.54 (3)	Ti3^xix—Te11—Rb3^xix	152.27 (3)
Te3^xvi—Ti1—Ti3	58.82 (3)	Ti2^xix—Te11—Rb3^xix	88.43 (3)
Te5^xvii—Ti1—Ti3	109.65 (4)	Te6^iv—Te11—Rb3^xix	120.142 (17)
Te7^iii—Ti1—Ti3	102.15 (4)	Ti3^xix—Te11—Rb1	107.10 (3)
Te10—Ti1—Ti3	143.78 (4)	Ti2^xix—Te11—Rb1	170.19 (3)
Te6^xvii—Ti1—Ti3	55.27 (3)	Te6^iv—Te11—Rb1	73.021 (15)
Te9^xvi—Ti1—Ti3	134.44 (4)	Rb3^xix—Te11—Rb1	98.112 (16)
Te1—Ti2—Te9	94.73 (3)	Ti3^xix—Te11—Rb2^xvii	80.34 (3)
Te1—Ti2—Te8	104.94 (4)	Ti2^xix—Te11—Rb2^xvii	77.52 (2)
Te9—Ti2—Te8	59.95 (2)	Te6^iv—Te11—Rb2^xvii	129.173 (17)
Te1—Ti2—Te4^xiii	89.53 (3)	Rb3^xix—Te11—Rb2^xvii	110.034 (16)
Te9—Ti2—Te4^xiii	141.73 (4)	Rb1—Te11—Rb2^xvii	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.