Synthesis and structure determination of Ce₆Cd₂₃Te: a new chalcogen-containing member of the RE₆Cd₂₃T family (RE is a rare-earth metal and T is a late group 14, 15 and 16 element)

The ternary phase hexa­cerium tricosa­cadmium telluride, Ce₆Cd₂₃Te, was synthesized by a high-temperature reaction of the elements in sealed Nb ampoules and was structurally characterized by powder and single-crystal X-ray diffraction. The structure, established from single-crystal X-ray diffraction methods, is isopointal with the Zr₆Zn₂₃Si structure type (Pearson symbol cF120, cubic space group Fmm), a filled version of the Th₆Mn₂₃ structure with the same space group and Pearson symbol cF116. Though no Cd-containing rare-earth metal binaries are known to form with this structure, it appears that the addition of small amounts of a p-block element allows the formation of such inter­stitially stabilized ternary compounds. Temperature-dependent direct current (dc) magnetization measurements suggest local-moment magnetism arising from the Ce³⁺ ground state, with possible valence fluctuations at low temperature, inferred from the deviations from the Curie–Weiss law.

Computing details

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: CrystalMaker (Palmer, 2007); software used to prepare material for publication: publCIF (Westrip, 2010).

(I)

Crystal data

Ce6Cd23Te	Mo Kα radiation, λ = 0.71073 Å
Mr = 3553.52	Cell parameters from 787 reflections
Cubic, Fm3m	θ = 6.4–33.2°
a = 14.1632 (4) Å	µ = 27.16 mm^−1
V = 2841.09 (14) Å^3	T = 200 K
Z = 4	Irregular, silver
F(000) = 6016	0.06 × 0.06 × 0.04 mm
Dx = 8.308 Mg m^−3

Data collection

Bruker APEXII CCD area detector diffractometer	322 independent reflections
Radiation source: fine-focus sealed tube	304 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
φ and ω scans	θmax = 33.2°, θmin = 6.3°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −19→15
Tmin = 0.297, Tmax = 0.450	k = −21→21
2478 measured reflections	l = −12→16

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.019	w = 1/[σ^2(Fo^2) + (0.0185P)^2 + 11.5663P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.042	(Δ/σ)max = 0.001
S = 1.16	Δρmax = 1.02 e Å^−3
322 reflections	Δρmin = −1.19 e Å^−3
16 parameters	Extinction correction: SHELXTL (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.000095 (7)

Special details

Experimental. Crystals selected from a fresh reaction batch were put in a Paratone N oil and cut with a scalpel to the desired dimensions (under an optical microscope). The X-ray absorption coefficient is high, therefore we tried to minimize these effects by working with crystals in the range of 0.06–0.07 mm or smaller. The selected specimens were scooped with micro-loops (obtained from MiTeGen) and transferred immediately to the single-crystal X-ray diffractometer. A stream of cold nitrogen was used to freeze the oil and protect the crystals from the ambient air.

Data collection is performed with two batch runs. Frame width was 0.50 ° in ω. Data were merged and treated with multi-scan absorption corrections.

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. The structure was solved in a straightforward manner using direct methods, which provided all six positions. Subsequent full-matrix least squares/difference Fourier cycles confirmed the model. The isotropic refinement converged smoothly to satisfactory residuals. The temperature factors for all atoms were comparable. In the final least-squares cycles, all atoms were refined anisotropically.

Final difference Fourier map is flat and featureless. A small residual peak of slightly over 1 e^- Å^-3 was located at 0, 0.3384, y, which is ca 1.8 Å away from the Cd3 atom; the deepest hole is -1.2 e^- Å^-3 (coordinates 0.3946, x, x, which is ca 1.5 Å away from the Cd1 atom).

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ce1	0.28073 (4)	0.0000	0.0000	0.00895 (13)
Cd1	0.33294 (2)	0.33294 (2)	0.33294 (2)	0.01114 (15)
Cd2	0.12339 (3)	0.12339 (3)	0.12339 (3)	0.01144 (14)
Cd3	0.0000	0.2500	0.2500	0.01013 (15)
Cd4	0.0000	0.0000	0.0000	0.0167 (4)
Te1	0.5000	0.5000	0.5000	0.0094 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ce1	0.0102 (2)	0.00832 (16)	0.00832 (16)	0.000	0.000	0.000
Cd1	0.01114 (15)	0.01114 (15)	0.01114 (15)	0.00183 (13)	0.00183 (13)	0.00183 (13)
Cd2	0.01144 (14)	0.01144 (14)	0.01144 (14)	0.00104 (12)	0.00104 (12)	0.00104 (12)
Cd3	0.0082 (3)	0.01110 (19)	0.01110 (19)	0.000	0.000	0.0006 (2)
Cd4	0.0167 (4)	0.0167 (4)	0.0167 (4)	0.000	0.000	0.000
Te1	0.0094 (3)	0.0094 (3)	0.0094 (3)	0.000	0.000	0.000

Geometric parameters (Å, º)

Ce1—Te1^i	3.1056 (6)	Cd2—Cd1^xiv	3.0941 (5)
Ce1—Cd2^ii	3.3278 (4)	Cd2—Cd1^xiii	3.0941 (5)
Ce1—Cd2^iii	3.3278 (4)	Cd2—Ce1^xviii	3.3278 (4)
Ce1—Cd2^iv	3.3278 (4)	Cd2—Ce1^x	3.3278 (4)
Ce1—Cd2	3.3278 (4)	Cd3—Cd1^xix	2.8911 (3)
Ce1—Cd1^v	3.4269 (4)	Cd3—Cd1^xiv	2.8911 (3)
Ce1—Cd1^i	3.4269 (4)	Cd3—Cd1^xx	2.8911 (3)
Ce1—Cd1^vi	3.4269 (4)	Cd3—Cd1^xiii	2.8911 (3)
Ce1—Cd1^vii	3.4269 (4)	Cd3—Cd2^xxi	3.0798 (2)
Ce1—Cd3^viii	3.5675 (1)	Cd3—Cd2^v	3.0798 (2)
Ce1—Cd3^ix	3.5675 (1)	Cd3—Cd2^xxii	3.0798 (2)
Ce1—Cd3^x	3.5675 (1)	Cd3—Ce1^xxiii	3.5675 (1)
Cd1—Cd3^xi	2.8911 (3)	Cd3—Ce1^x	3.5675 (1)
Cd1—Cd3^xii	2.8911 (3)	Cd3—Ce1^xxiv	3.5675 (1)
Cd1—Cd3^xiii	2.8911 (3)	Cd3—Ce1^xviii	3.5675 (1)
Cd1—Cd2^v	3.0941 (5)	Cd4—Cd2^xxv	3.0269 (6)
Cd1—Cd2^xiv	3.0941 (5)	Cd4—Cd2^xxi	3.0269 (6)
Cd1—Cd2^xiii	3.0941 (5)	Cd4—Cd2^xxvi	3.0269 (6)
Cd1—Cd1^xiii	3.3225 (10)	Cd4—Cd2^iv	3.0269 (6)
Cd1—Cd1^v	3.3225 (10)	Cd4—Cd2^xxvii	3.0269 (6)
Cd1—Cd1^xiv	3.3225 (10)	Cd4—Cd2^iii	3.0269 (6)
Cd1—Ce1^xv	3.4269 (4)	Cd4—Cd2^ii	3.0269 (6)
Cd1—Ce1^xvi	3.4269 (4)	Te1—Ce1^xxviii	3.1056 (5)
Cd1—Ce1^xvii	3.4269 (4)	Te1—Ce1^xv	3.1056 (6)
Cd2—Cd4	3.0269 (6)	Te1—Ce1^xxix	3.1056 (6)
Cd2—Cd3^xviii	3.0798 (2)	Te1—Ce1^xvii	3.1056 (6)
Cd2—Cd3	3.0798 (2)	Te1—Ce1^xxx	3.1056 (6)
Cd2—Cd3^x	3.0798 (2)	Te1—Ce1^xvi	3.1056 (6)
Cd2—Cd1^v	3.0941 (5)
Te1^i—Ce1—Cd2^ii	132.040 (13)	Cd3^xviii—Cd2—Cd1^xiv	55.844 (7)
Te1^i—Ce1—Cd2^iii	132.040 (13)	Cd3—Cd2—Cd1^xiv	55.844 (7)
Cd2^ii—Ce1—Cd2^iii	63.357 (14)	Cd3^x—Cd2—Cd1^xiv	108.15 (2)
Te1^i—Ce1—Cd2^iv	132.040 (13)	Cd1^v—Cd2—Cd1^xiv	64.95 (2)
Cd2^ii—Ce1—Cd2^iv	63.357 (14)	Cd4—Cd2—Cd1^xiii	141.686 (13)
Cd2^iii—Ce1—Cd2^iv	95.92 (3)	Cd3^xviii—Cd2—Cd1^xiii	108.15 (2)
Te1^i—Ce1—Cd2	132.040 (13)	Cd3—Cd2—Cd1^xiii	55.844 (7)
Cd2^ii—Ce1—Cd2	95.92 (3)	Cd3^x—Cd2—Cd1^xiii	55.844 (7)
Cd2^iii—Ce1—Cd2	63.357 (14)	Cd1^v—Cd2—Cd1^xiii	64.95 (2)
Cd2^iv—Ce1—Cd2	63.357 (14)	Cd1^xiv—Cd2—Cd1^xiii	64.95 (2)
Te1^i—Ce1—Cd1^v	77.539 (11)	Cd4—Cd2—Ce1	77.304 (13)
Cd2^ii—Ce1—Cd1^v	150.42 (2)	Cd3^xviii—Cd2—Ce1	67.535 (3)
Cd2^iii—Ce1—Cd1^v	98.308 (7)	Cd3—Cd2—Ce1	172.53 (2)
Cd2^iv—Ce1—Cd1^v	98.308 (7)	Cd3^x—Cd2—Ce1	67.535 (3)
Cd2—Ce1—Cd1^v	54.501 (13)	Cd1^v—Cd2—Ce1	64.382 (13)
Te1^i—Ce1—Cd1^i	77.539 (11)	Cd1^xiv—Cd2—Ce1	118.349 (12)
Cd2^ii—Ce1—Cd1^i	54.501 (13)	Cd1^xiii—Cd2—Ce1	118.349 (12)
Cd2^iii—Ce1—Cd1^i	98.308 (7)	Cd4—Cd2—Ce1^xviii	77.304 (13)
Cd2^iv—Ce1—Cd1^i	98.308 (7)	Cd3^xviii—Cd2—Ce1^xviii	172.53 (2)
Cd2—Ce1—Cd1^i	150.42 (2)	Cd3—Cd2—Ce1^xviii	67.535 (3)
Cd1^v—Ce1—Cd1^i	155.08 (2)	Cd3^x—Cd2—Ce1^xviii	67.535 (3)
Te1^i—Ce1—Cd1^vi	77.539 (11)	Cd1^v—Cd2—Ce1^xviii	118.349 (12)
Cd2^ii—Ce1—Cd1^vi	98.308 (7)	Cd1^xiv—Cd2—Ce1^xviii	118.349 (12)
Cd2^iii—Ce1—Cd1^vi	150.42 (2)	Cd1^xiii—Cd2—Ce1^xviii	64.382 (13)
Cd2^iv—Ce1—Cd1^vi	54.501 (13)	Ce1—Cd2—Ce1^xviii	115.312 (9)
Cd2—Ce1—Cd1^vi	98.308 (7)	Cd4—Cd2—Ce1^x	77.304 (13)
Cd1^v—Ce1—Cd1^vi	87.331 (5)	Cd3^xviii—Cd2—Ce1^x	67.535 (3)
Cd1^i—Ce1—Cd1^vi	87.331 (5)	Cd3—Cd2—Ce1^x	67.535 (3)
Te1^i—Ce1—Cd1^vii	77.539 (11)	Cd3^x—Cd2—Ce1^x	172.53 (2)
Cd2^ii—Ce1—Cd1^vii	98.308 (7)	Cd1^v—Cd2—Ce1^x	118.349 (12)
Cd2^iii—Ce1—Cd1^vii	54.501 (13)	Cd1^xiv—Cd2—Ce1^x	64.382 (13)
Cd2^iv—Ce1—Cd1^vii	150.42 (2)	Cd1^xiii—Cd2—Ce1^x	118.349 (12)
Cd2—Ce1—Cd1^vii	98.308 (7)	Ce1—Cd2—Ce1^x	115.312 (9)
Cd1^v—Ce1—Cd1^vii	87.331 (5)	Ce1^xviii—Cd2—Ce1^x	115.312 (9)
Cd1^i—Ce1—Cd1^vii	87.331 (5)	Cd1^xix—Cd3—Cd1^xiv	180.0
Cd1^vi—Ce1—Cd1^vii	155.08 (2)	Cd1^xix—Cd3—Cd1^xx	70.15 (2)
Te1^i—Ce1—Cd3^viii	97.008 (9)	Cd1^xiv—Cd3—Cd1^xx	109.85 (2)
Cd2^ii—Ce1—Cd3^viii	52.920 (6)	Cd1^xix—Cd3—Cd1^xiii	109.85 (2)
Cd2^iii—Ce1—Cd3^viii	52.920 (6)	Cd1^xiv—Cd3—Cd1^xiii	70.15 (2)
Cd2^iv—Ce1—Cd3^viii	116.074 (13)	Cd1^xx—Cd3—Cd1^xiii	180.000 (13)
Cd2—Ce1—Cd3^viii	116.074 (13)	Cd1^xix—Cd3—Cd2^xxi	62.328 (10)
Cd1^v—Ce1—Cd3^viii	135.367 (2)	Cd1^xiv—Cd3—Cd2^xxi	117.672 (10)
Cd1^i—Ce1—Cd3^viii	48.779 (3)	Cd1^xx—Cd3—Cd2^xxi	62.328 (10)
Cd1^vi—Ce1—Cd3^viii	135.367 (2)	Cd1^xiii—Cd3—Cd2^xxi	117.672 (10)
Cd1^vii—Ce1—Cd3^viii	48.779 (3)	Cd1^xix—Cd3—Cd2^v	117.672 (10)
Te1^i—Ce1—Cd3^ix	97.008 (9)	Cd1^xiv—Cd3—Cd2^v	62.328 (10)
Cd2^ii—Ce1—Cd3^ix	52.920 (6)	Cd1^xx—Cd3—Cd2^v	117.672 (10)
Cd2^iii—Ce1—Cd3^ix	116.074 (13)	Cd1^xiii—Cd3—Cd2^v	62.328 (10)
Cd2^iv—Ce1—Cd3^ix	52.920 (6)	Cd2^xxi—Cd3—Cd2^v	180.00 (2)
Cd2—Ce1—Cd3^ix	116.074 (13)	Cd1^xix—Cd3—Cd2^xxii	62.328 (10)
Cd1^v—Ce1—Cd3^ix	135.367 (2)	Cd1^xiv—Cd3—Cd2^xxii	117.672 (10)
Cd1^i—Ce1—Cd3^ix	48.779 (3)	Cd1^xx—Cd3—Cd2^xxii	62.328 (10)
Cd1^vi—Ce1—Cd3^ix	48.779 (3)	Cd1^xiii—Cd3—Cd2^xxii	117.672 (10)
Cd1^vii—Ce1—Cd3^ix	135.367 (2)	Cd2^xxi—Cd3—Cd2^xxii	110.86 (2)
Cd3^viii—Ce1—Cd3^ix	89.147 (2)	Cd2^v—Cd3—Cd2^xxii	69.14 (2)
Te1^i—Ce1—Cd3^x	97.008 (9)	Cd1^xix—Cd3—Cd2	117.672 (10)
Cd2^ii—Ce1—Cd3^x	116.074 (13)	Cd1^xiv—Cd3—Cd2	62.328 (10)
Cd2^iii—Ce1—Cd3^x	52.920 (6)	Cd1^xx—Cd3—Cd2	117.672 (10)
Cd2^iv—Ce1—Cd3^x	116.074 (13)	Cd1^xiii—Cd3—Cd2	62.328 (10)
Cd2—Ce1—Cd3^x	52.920 (6)	Cd2^xxi—Cd3—Cd2	69.14 (2)
Cd1^v—Ce1—Cd3^x	48.779 (3)	Cd2^v—Cd3—Cd2	110.86 (2)
Cd1^i—Ce1—Cd3^x	135.367 (2)	Cd2^xxii—Cd3—Cd2	180.0
Cd1^vi—Ce1—Cd3^x	135.367 (2)	Cd1^xix—Cd3—Ce1^xxiii	116.927 (9)
Cd1^vii—Ce1—Cd3^x	48.779 (3)	Cd1^xiv—Cd3—Ce1^xxiii	63.073 (9)
Cd3^viii—Ce1—Cd3^x	89.147 (2)	Cd1^xx—Cd3—Ce1^xxiii	63.073 (9)
Cd3^ix—Ce1—Cd3^x	165.984 (17)	Cd1^xiii—Cd3—Ce1^xxiii	116.927 (9)
Cd3^xi—Cd1—Cd3^xii	120.0	Cd2^xxi—Cd3—Ce1^xxiii	120.455 (8)
Cd3^xi—Cd1—Cd3^xiii	120.0	Cd2^v—Cd3—Ce1^xxiii	59.545 (8)
Cd3^xii—Cd1—Cd3^xiii	120.0	Cd2^xxii—Cd3—Ce1^xxiii	59.545 (8)
Cd3^xi—Cd1—Cd2^v	61.828 (3)	Cd2—Cd3—Ce1^xxiii	120.455 (8)
Cd3^xii—Cd1—Cd2^v	61.828 (3)	Cd1^xix—Cd3—Ce1^x	116.927 (9)
Cd3^xiii—Cd1—Cd2^v	161.35 (2)	Cd1^xiv—Cd3—Ce1^x	63.073 (9)
Cd3^xi—Cd1—Cd2^xiv	61.828 (3)	Cd1^xx—Cd3—Ce1^x	63.073 (9)
Cd3^xii—Cd1—Cd2^xiv	161.35 (2)	Cd1^xiii—Cd3—Ce1^x	116.927 (9)
Cd3^xiii—Cd1—Cd2^xiv	61.828 (3)	Cd2^xxi—Cd3—Ce1^x	59.545 (8)
Cd2^v—Cd1—Cd2^xiv	110.092 (12)	Cd2^v—Cd3—Ce1^x	120.455 (8)
Cd3^xi—Cd1—Cd2^xiii	161.35 (2)	Cd2^xxii—Cd3—Ce1^x	120.455 (8)
Cd3^xii—Cd1—Cd2^xiii	61.828 (3)	Cd2—Cd3—Ce1^x	59.545 (8)
Cd3^xiii—Cd1—Cd2^xiii	61.828 (3)	Ce1^xxiii—Cd3—Ce1^x	75.984 (17)
Cd2^v—Cd1—Cd2^xiii	110.092 (12)	Cd1^xix—Cd3—Ce1^xxiv	63.073 (9)
Cd2^xiv—Cd1—Cd2^xiii	110.092 (12)	Cd1^xiv—Cd3—Ce1^xxiv	116.927 (9)
Cd3^xi—Cd1—Cd1^xiii	54.927 (12)	Cd1^xx—Cd3—Ce1^xxiv	116.927 (9)
Cd3^xii—Cd1—Cd1^xiii	106.942 (10)	Cd1^xiii—Cd3—Ce1^xxiv	63.073 (9)
Cd3^xiii—Cd1—Cd1^xiii	106.942 (10)	Cd2^xxi—Cd3—Ce1^xxiv	120.455 (8)
Cd2^v—Cd1—Cd1^xiii	57.526 (10)	Cd2^v—Cd3—Ce1^xxiv	59.545 (8)
Cd2^xiv—Cd1—Cd1^xiii	57.526 (10)	Cd2^xxii—Cd3—Ce1^xxiv	59.545 (8)
Cd2^xiii—Cd1—Cd1^xiii	106.422 (13)	Cd2—Cd3—Ce1^xxiv	120.455 (8)
Cd3^xi—Cd1—Cd1^v	106.942 (10)	Ce1^xxiii—Cd3—Ce1^xxiv	104.016 (17)
Cd3^xii—Cd1—Cd1^v	106.942 (10)	Ce1^x—Cd3—Ce1^xxiv	180.0
Cd3^xiii—Cd1—Cd1^v	54.927 (12)	Cd1^xix—Cd3—Ce1^xviii	63.073 (9)
Cd2^v—Cd1—Cd1^v	106.422 (13)	Cd1^xiv—Cd3—Ce1^xviii	116.927 (9)
Cd2^xiv—Cd1—Cd1^v	57.526 (10)	Cd1^xx—Cd3—Ce1^xviii	116.927 (9)
Cd2^xiii—Cd1—Cd1^v	57.526 (10)	Cd1^xiii—Cd3—Ce1^xviii	63.073 (9)
Cd1^xiii—Cd1—Cd1^v	60.0	Cd2^xxi—Cd3—Ce1^xviii	59.545 (8)
Cd3^xi—Cd1—Cd1^xiv	106.942 (10)	Cd2^v—Cd3—Ce1^xviii	120.455 (8)
Cd3^xii—Cd1—Cd1^xiv	54.927 (12)	Cd2^xxii—Cd3—Ce1^xviii	120.455 (8)
Cd3^xiii—Cd1—Cd1^xiv	106.942 (10)	Cd2—Cd3—Ce1^xviii	59.545 (8)
Cd2^v—Cd1—Cd1^xiv	57.526 (10)	Ce1^xxiii—Cd3—Ce1^xviii	180.0
Cd2^xiv—Cd1—Cd1^xiv	106.422 (13)	Ce1^x—Cd3—Ce1^xviii	104.016 (17)
Cd2^xiii—Cd1—Cd1^xiv	57.526 (10)	Ce1^xxiv—Cd3—Ce1^xviii	75.984 (17)
Cd1^xiii—Cd1—Cd1^xiv	60.0	Cd2^xxv—Cd4—Cd2	180.00 (3)
Cd1^v—Cd1—Cd1^xiv	60.0	Cd2^xxv—Cd4—Cd2^xxi	109.5
Cd3^xi—Cd1—Ce1^xv	68.148 (7)	Cd2—Cd4—Cd2^xxi	70.5
Cd3^xii—Cd1—Ce1^xv	68.148 (7)	Cd2^xxv—Cd4—Cd2^xxvi	70.5
Cd3^xiii—Cd1—Ce1^xv	137.53 (2)	Cd2—Cd4—Cd2^xxvi	109.5
Cd2^v—Cd1—Ce1^xv	61.117 (12)	Cd2^xxi—Cd4—Cd2^xxvi	70.5
Cd2^xiv—Cd1—Ce1^xv	124.569 (8)	Cd2^xxv—Cd4—Cd2^iv	109.5
Cd2^xiii—Cd1—Ce1^xv	124.569 (8)	Cd2—Cd4—Cd2^iv	70.5
Cd1^xiii—Cd1—Ce1^xv	109.612 (10)	Cd2^xxi—Cd4—Cd2^iv	109.5
Cd1^v—Cd1—Ce1^xv	167.539 (11)	Cd2^xxvi—Cd4—Cd2^iv	180.00 (3)
Cd1^xiv—Cd1—Ce1^xv	109.612 (10)	Cd2^xxv—Cd4—Cd2^xxvii	70.5
Cd3^xi—Cd1—Ce1^xvi	137.53 (2)	Cd2—Cd4—Cd2^xxvii	109.5
Cd3^xii—Cd1—Ce1^xvi	68.148 (7)	Cd2^xxi—Cd4—Cd2^xxvii	70.5
Cd3^xiii—Cd1—Ce1^xvi	68.148 (7)	Cd2^xxvi—Cd4—Cd2^xxvii	109.5
Cd2^v—Cd1—Ce1^xvi	124.569 (8)	Cd2^iv—Cd4—Cd2^xxvii	70.5
Cd2^xiv—Cd1—Ce1^xvi	124.569 (8)	Cd2^xxv—Cd4—Cd2^iii	109.5
Cd2^xiii—Cd1—Ce1^xvi	61.117 (12)	Cd2—Cd4—Cd2^iii	70.5
Cd1^xiii—Cd1—Ce1^xvi	167.539 (11)	Cd2^xxi—Cd4—Cd2^iii	109.5
Cd1^v—Cd1—Ce1^xvi	109.612 (10)	Cd2^xxvi—Cd4—Cd2^iii	70.5
Cd1^xiv—Cd1—Ce1^xvi	109.612 (10)	Cd2^iv—Cd4—Cd2^iii	109.5
Ce1^xv—Cd1—Ce1^xvi	79.703 (17)	Cd2^xxvii—Cd4—Cd2^iii	180.00 (3)
Cd3^xi—Cd1—Ce1^xvii	68.148 (7)	Cd2^xxv—Cd4—Cd2^ii	70.5
Cd3^xii—Cd1—Ce1^xvii	137.53 (2)	Cd2—Cd4—Cd2^ii	109.5
Cd3^xiii—Cd1—Ce1^xvii	68.148 (7)	Cd2^xxi—Cd4—Cd2^ii	180.00 (2)
Cd2^v—Cd1—Ce1^xvii	124.569 (8)	Cd2^xxvi—Cd4—Cd2^ii	109.5
Cd2^xiv—Cd1—Ce1^xvii	61.117 (12)	Cd2^iv—Cd4—Cd2^ii	70.5
Cd2^xiii—Cd1—Ce1^xvii	124.569 (8)	Cd2^xxvii—Cd4—Cd2^ii	109.5
Cd1^xiii—Cd1—Ce1^xvii	109.612 (10)	Cd2^iii—Cd4—Cd2^ii	70.5
Cd1^v—Cd1—Ce1^xvii	109.612 (10)	Ce1^xxviii—Te1—Ce1^xv	90.0
Cd1^xiv—Cd1—Ce1^xvii	167.539 (11)	Ce1^xxviii—Te1—Ce1^xxix	90.0
Ce1^xv—Cd1—Ce1^xvii	79.703 (17)	Ce1^xv—Te1—Ce1^xxix	180.0
Ce1^xvi—Cd1—Ce1^xvii	79.703 (17)	Ce1^xxviii—Te1—Ce1^xvii	90.0
Cd4—Cd2—Cd3^xviii	110.164 (11)	Ce1^xv—Te1—Ce1^xvii	90.0
Cd4—Cd2—Cd3	110.164 (11)	Ce1^xxix—Te1—Ce1^xvii	90.0
Cd3^xviii—Cd2—Cd3	108.770 (11)	Ce1^xxviii—Te1—Ce1^xxx	90.0
Cd4—Cd2—Cd3^x	110.164 (11)	Ce1^xv—Te1—Ce1^xxx	90.0
Cd3^xviii—Cd2—Cd3^x	108.770 (11)	Ce1^xxix—Te1—Ce1^xxx	90.0
Cd3—Cd2—Cd3^x	108.770 (11)	Ce1^xvii—Te1—Ce1^xxx	180.0
Cd4—Cd2—Cd1^v	141.686 (13)	Ce1^xxviii—Te1—Ce1^xvi	180.0
Cd3^xviii—Cd2—Cd1^v	55.844 (7)	Ce1^xv—Te1—Ce1^xvi	90.0
Cd3—Cd2—Cd1^v	108.15 (2)	Ce1^xxix—Te1—Ce1^xvi	90.0
Cd3^x—Cd2—Cd1^v	55.844 (7)	Ce1^xvii—Te1—Ce1^xvi	90.0
Cd4—Cd2—Cd1^xiv	141.686 (13)	Ce1^xxx—Te1—Ce1^xvi	90.0

Symmetry codes: (i) x, y−1/2, z−1/2; (ii) x, −y, −z; (iii) x, −y, z; (iv) x, y, −z; (v) x, −y+1/2, −z+1/2; (vi) x, −y+1/2, z−1/2; (vii) x, y−1/2, −z+1/2; (viii) −y+1/2, z−1/2, −x; (ix) z, −x, −y; (x) z, x, y; (xi) −y+1/2, z, −x+1/2; (xii) z, −x+1/2, −y+1/2; (xiii) −x+1/2, −y+1/2, z; (xiv) −x+1/2, y, −z+1/2; (xv) x, y+1/2, z+1/2; (xvi) y+1/2, z+1/2, x; (xvii) z+1/2, x, y+1/2; (xviii) y, z, x; (xix) x−1/2, −y+1/2, z; (xx) x−1/2, y, −z+1/2; (xxi) −x, y, z; (xxii) −x, −y+1/2, −z+1/2; (xxiii) −y, −z+1/2, −x+1/2; (xxiv) −z, −x+1/2, −y+1/2; (xxv) −x, −y, −z; (xxvi) −x, −y, z; (xxvii) −x, y, −z; (xxviii) −y+1/2, −z+1/2, −x+1; (xxix) −x+1, −y+1/2, −z+1/2; (xxx) −z+1/2, −x+1, −y+1/2.