Substitution of indium for chromium in TlIn_5−xCr_xSe₈: crystal structure of TlIn_4.811(5)Cr_0.189(5)Se₈

A substitution of indium for chromium in TlIn₅Se₈ led to the isostructural solid solution TlIn_4.8Cr_0.2Se₈ with only one (Wyckoff position 2a) of three In positions occupied by Cr atoms.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](In-Se) = 0.001 Å
• Disorder in main residue
• R factor = 0.030
• wR factor = 0.031
• Data-to-parameter ratio = 30.7

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ     Please Check
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..     Please Check

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          3 Info
PLAT005_ALERT_5_G No Embedded Refinement Details found  in the CIF     Please Do !
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.50 Check
PLAT068_ALERT_1_G Reported F000 Differs from Calcd (or Missing)...     Please Check
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  In2    --  Se2     ..       10.2 s.u.
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1)..         16 % Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  2)..        100 % Note
PLAT794_ALERT_5_G Tentative Bond Valency for In2     (IX)    .....       2.54 Note
PLAT794_ALERT_5_G Tentative Bond Valency for In3     (IX)    .....       2.87 Note
PLAT808_ALERT_5_G No Parseable SHELXL Style Weighting Scheme Found     Please Check

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  12 ALERT level G = General information/check it is not something unexpected

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   5 ALERT type 5 Informative message, check

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Computing details

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007); program(s) used to refine structure: JANA2006 (Petříček et al., 2014); molecular graphics: DIAMOND (Brandenburg & Putz, 2014); software used to prepare material for publication: JANA2006 (Petříček et al., 2014) and publCIF (Westrip, 2010).

Thallium penta(indium/chromium) octaselenide

Crystal data

TlIn4.811Cr0.189Se8	F(000) = 1187
Mr = 1398.3	Dx = 6.274 Mg m^−3
Monoclinic, C2/m	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2y	Cell parameters from 2692 reflections
a = 19.8257 (18) Å	θ = 2.7–32.8°
b = 3.9754 (4) Å	µ = 37.98 mm^−1
c = 9.5881 (9) Å	T = 293 K
β = 101.645 (5)°	Irregular, black
V = 740.13 (12) Å^3	0.13 × 0.11 × 0.10 mm
Z = 2

Data collection

Bruker APEXII CCD area detector diffractometer	1537 independent reflections
Radiation source: X-ray tube	1181 reflections with I > 3σ(I)
Graphite monochromator	Rint = 0.028
Detector resolution: 8.3333 pixels mm^-1	θmax = 33.2°, θmin = 2.1°
ω and φ scans	h = −30→26
Absorption correction: numerical (SADABS; Bruker, 2004)	k = −5→6
Tmin = 0.405, Tmax = 0.747	l = −12→14
5647 measured reflections

Refinement

Refinement on F	0 restraints
R[F > 3σ(F)] = 0.030	4 constraints
wR(F) = 0.031	Weighting scheme based on measured s.u.'s w = 1/(σ^2(F) + 0.0001F^2)
S = 1.34	(Δ/σ)max = 0.003
1537 reflections	Δρmax = 1.41 e Å^−3
50 parameters	Δρmin = −1.69 e Å^−3

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Tl1	0.46491 (5)	0	0.52551 (8)	0.0407 (3)	0.4631 (16)
Tl2	0	0.5	0.5	0.032 (2)*	0.074 (3)
In1	0	0	0	0.0155 (2)	0.811 (5)
Cr	0	0	0	0.0155 (2)	0.189 (5)
In2	0.28034 (3)	0	0.66298 (5)	0.02131 (15)
In3	0.36250 (2)	0	0.10972 (5)	0.02052 (15)
Se1	0.24067 (3)	0	0.15323 (6)	0.01295 (17)
Se2	0.16279 (4)	0	0.47058 (7)	0.0197 (2)
Se3	0.58556 (3)	0	0.11945 (6)	0.01640 (19)
Se4	0.06189 (3)	0	0.76833 (7)	0.01829 (19)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Tl1	0.0434 (6)	0.0352 (4)	0.0376 (4)	0	−0.0058 (3)	0
In1	0.0110 (4)	0.0129 (4)	0.0240 (4)	0	0.0069 (3)	0
Cr	0.0110 (4)	0.0129 (4)	0.0240 (4)	0	0.0069 (3)	0
In2	0.0346 (3)	0.0138 (2)	0.01692 (19)	0	0.00868 (19)	0
In3	0.0158 (2)	0.0166 (2)	0.0327 (3)	0	0.01323 (19)	0
Se1	0.0129 (3)	0.0129 (3)	0.0142 (3)	0	0.0053 (2)	0
Se2	0.0256 (4)	0.0174 (3)	0.0183 (3)	0	0.0094 (2)	0
Se3	0.0121 (3)	0.0179 (3)	0.0187 (3)	0	0.0019 (2)	0
Se4	0.0189 (3)	0.0153 (3)	0.0204 (3)	0	0.0035 (2)	0

Geometric parameters (Å, º)

Tl1—Tl1^i	3.9754 (8)	Cr—Se3^xiii	2.7122 (5)
Tl1—Tl1^ii	3.9754 (8)	Cr—Se4^xiv	2.7460 (8)
Tl1—Tl1^iii	1.5654 (15)	Cr—Se4^viii	2.7460 (8)
Tl1—Tl2^iv	0.7827 (11)	In2—In2^i	3.9754 (8)
Tl1—Se2^v	3.2249 (11)	In2—In2^ii	3.9754 (8)
Tl1—Se2^vi	3.2249 (11)	In2—In2^v	3.6944 (8)
Tl1—Se3^iii	3.7369 (13)	In2—In2^vi	3.6944 (8)
Tl1—Se4^iv	3.3558 (9)	In2—Se1^v	2.7433 (6)
Tl1—Se4^vii	3.3558 (9)	In2—Se1^vi	2.7433 (6)
Tl1—Se4^v	3.4010 (9)	In2—Se2	2.6644 (9)
Tl1—Se4^vi	3.4010 (9)	In2—Se2^v	2.7286 (7)
Tl2—Tl2^i	3.9754 (8)	In2—Se2^vi	2.7286 (7)
Tl2—Tl2^ii	3.9754 (8)	In2—Se3^iii	3.0300 (9)
Tl2—Se2	3.8489 (8)	In3—In3^i	3.9754 (8)
Tl2—Se2^ii	3.8489 (8)	In3—In3^ii	3.9754 (8)
Tl2—Se2^viii	3.8489 (8)	In3—Se1	2.5328 (9)
Tl2—Se2^ix	3.8489 (8)	In3—Se1^xii	3.5227 (7)
Tl2—Se4	3.2865 (7)	In3—Se1^xiii	3.5227 (7)
Tl2—Se4^ii	3.2865 (7)	In3—Se3^xv	2.6080 (9)
Tl2—Se4^viii	3.2865 (7)	In3—Se4^v	2.6186 (6)
Tl2—Se4^ix	3.2865 (7)	In3—Se4^vi	2.6186 (6)
In1—In1^i	3.9754 (8)	Se1—Se1^i	3.9754 (8)
In1—In1^ii	3.9754 (8)	Se1—Se1^ii	3.9754 (8)
In1—Cr^i	3.9754 (8)	Se1—Se1^xii	3.6278 (9)
In1—Cr	0	Se1—Se1^xiii	3.6278 (9)
In1—Cr^ii	3.9754 (8)	Se1—Se2	3.6795 (11)
In1—In3^x	3.6941 (6)	Se1—Se3^x	3.6207 (9)
In1—In3^xi	3.6941 (6)	Se1—Se3^xi	3.6207 (9)
In1—In3^xii	3.6941 (6)	Se2—Se2^i	3.9754 (8)
In1—In3^xiii	3.6941 (6)	Se2—Se2^ii	3.9754 (8)
In1—Se3^x	2.7122 (5)	Se2—Se2^v	3.9294 (10)
In1—Se3^xi	2.7122 (5)	Se2—Se2^vi	3.9294 (10)
In1—Se3^xii	2.7122 (5)	Se2—Se3^x	3.9432 (9)
In1—Se3^xiii	2.7122 (5)	Se2—Se3^xi	3.9432 (9)
In1—Se4^xiv	2.7460 (8)	Se2—Se4	3.8022 (11)
In1—Se4^viii	2.7460 (8)	Se3—Se3^i	3.9754 (8)
Cr—Cr^i	3.9754 (8)	Se3—Se3^ii	3.9754 (8)
Cr—Cr^ii	3.9754 (8)	Se3—Se3^xv	3.6905 (11)
Cr—In3^x	3.6941 (6)	Se3—Se4^xvi	3.8558 (10)
Cr—In3^xi	3.6941 (6)	Se3—Se4^xvii	3.8558 (10)
Cr—In3^xii	3.6941 (6)	Se3—Se4^v	3.8633 (10)
Cr—In3^xiii	3.6941 (6)	Se3—Se4^vi	3.8633 (10)
Cr—Se3^x	2.7122 (5)	Se4—Se4^i	3.9754 (8)
Cr—Se3^xi	2.7122 (5)	Se4—Se4^ii	3.9754 (8)
Cr—Se3^xii	2.7122 (5)
Tl1^i—Tl1—Tl1^ii	180.0 (5)	In3^xii—Se1—Se1^xiii	82.466 (16)
Tl1^i—Tl1—Tl1^iii	90.00 (2)	In3^xii—Se1—Se2	108.174 (19)
Tl1^i—Tl1—Tl2^iv	90.00 (2)	In3^xii—Se1—Se3^x	42.799 (14)
Tl1^i—Tl1—Se2^v	51.949 (18)	In3^xii—Se1—Se3^xi	83.442 (16)
Tl1^i—Tl1—Se2^vi	128.05 (3)	In3^xiii—Se1—Se1^i	124.351 (15)
Tl1^i—Tl1—Se3^iii	90.000 (18)	In3^xiii—Se1—Se1^ii	55.649 (10)
Tl1^i—Tl1—Se4^iv	53.678 (14)	In3^xiii—Se1—Se1^xii	82.466 (16)
Tl1^i—Tl1—Se4^vii	126.32 (2)	In3^xiii—Se1—Se1^xiii	41.459 (14)
Tl1^i—Tl1—Se4^v	54.236 (14)	In3^xiii—Se1—Se2	108.174 (19)
Tl1^i—Tl1—Se4^vi	125.76 (2)	In3^xiii—Se1—Se3^x	83.442 (16)
Tl1^ii—Tl1—Tl1^iii	90.00 (2)	In3^xiii—Se1—Se3^xi	42.799 (14)
Tl1^ii—Tl1—Tl2^iv	90.00 (2)	Se1^i—Se1—Se1^xii	56.776 (11)
Tl1^ii—Tl1—Se2^v	128.05 (3)	Se1^i—Se1—Se1^xiii	123.224 (17)
Tl1^ii—Tl1—Se2^vi	51.949 (18)	Se1^i—Se1—Se3^x	56.703 (11)
Tl1^ii—Tl1—Se3^iii	90.000 (18)	Se1^i—Se1—Se3^xi	123.297 (17)
Tl1^ii—Tl1—Se4^iv	126.32 (2)	Se1^ii—Se1—Se1^xii	123.224 (17)
Tl1^ii—Tl1—Se4^vii	53.678 (14)	Se1^ii—Se1—Se1^xiii	56.776 (11)
Tl1^ii—Tl1—Se4^v	125.76 (2)	Se1^ii—Se1—Se3^x	123.297 (17)
Tl1^ii—Tl1—Se4^vi	54.236 (14)	Se1^ii—Se1—Se3^xi	56.703 (11)
Tl1^iii—Tl1—Se2^v	138.86 (2)	Se1^xii—Se1—Se1^xiii	66.448 (14)
Tl1^iii—Tl1—Se2^vi	138.86 (2)	Se1^xii—Se1—Se2	142.961 (13)
Tl1^iii—Tl1—Se3^iii	134.67 (5)	Se1^xii—Se1—Se3^x	81.396 (15)
Tl1^iii—Tl1—Se4^iv	78.22 (4)	Se1^xii—Se1—Se3^xi	116.871 (19)
Tl1^iii—Tl1—Se4^vii	78.22 (4)	Se1^xiii—Se1—Se2	142.961 (13)
Tl1^iii—Tl1—Se4^v	75.00 (4)	Se1^xiii—Se1—Se3^x	116.871 (19)
Tl1^iii—Tl1—Se4^vi	75.00 (4)	Se1^xiii—Se1—Se3^xi	81.396 (15)
Tl2^iv—Tl1—Se2^v	138.86 (3)	Se2—Se1—Se3^x	65.381 (17)
Tl2^iv—Tl1—Se2^vi	138.86 (3)	Se2—Se1—Se3^xi	65.381 (17)
Tl2^iv—Tl1—Se3^iii	134.67 (7)	Se3^x—Se1—Se3^xi	66.594 (15)
Tl2^iv—Tl1—Se4^iv	78.22 (5)	Tl1^v—Se2—Tl1^vi	76.10 (2)
Tl2^iv—Tl1—Se4^vii	78.22 (5)	Tl1^v—Se2—Tl2^i	7.689 (13)
Tl2^iv—Tl1—Se4^v	75.00 (5)	Tl1^v—Se2—Tl2	69.244 (19)
Tl2^iv—Tl1—Se4^vi	75.00 (5)	Tl1^v—Se2—In2	124.82 (2)
Se2^v—Tl1—Se2^vi	76.10 (3)	Tl1^v—Se2—In2^v	87.489 (18)
Se2^v—Tl1—Se3^iii	68.55 (2)	Tl1^v—Se2—In2^vi	148.67 (3)
Se2^v—Tl1—Se4^iv	88.171 (18)	Tl1^v—Se2—Se1	118.10 (2)
Se2^v—Tl1—Se4^vii	134.29 (3)	Tl1^v—Se2—Se2^i	51.949 (16)
Se2^v—Tl1—Se4^v	69.98 (2)	Tl1^v—Se2—Se2^ii	128.05 (2)
Se2^v—Tl1—Se4^vi	112.22 (3)	Tl1^v—Se2—Se2^v	110.899 (15)
Se2^vi—Tl1—Se3^iii	68.55 (2)	Tl1^v—Se2—Se2^vi	168.61 (2)
Se2^vi—Tl1—Se4^iv	134.29 (3)	Tl1^v—Se2—Se3^x	61.888 (19)
Se2^vi—Tl1—Se4^vii	88.171 (18)	Tl1^v—Se2—Se3^xi	98.64 (2)
Se2^vi—Tl1—Se4^v	112.22 (3)	Tl1^v—Se2—Se4	57.184 (19)
Se2^vi—Tl1—Se4^vi	69.98 (2)	Tl1^vi—Se2—Tl2^i	69.244 (19)
Se3^iii—Tl1—Se4^iv	65.75 (2)	Tl1^vi—Se2—Tl2	7.689 (13)
Se3^iii—Tl1—Se4^vii	65.75 (2)	Tl1^vi—Se2—In2	124.82 (2)
Se3^iii—Tl1—Se4^v	136.79 (2)	Tl1^vi—Se2—In2^v	148.67 (3)
Se3^iii—Tl1—Se4^vi	136.79 (2)	Tl1^vi—Se2—In2^vi	87.489 (18)
Se4^iv—Tl1—Se4^vii	72.64 (2)	Tl1^vi—Se2—Se1	118.10 (2)
Se4^iv—Tl1—Se4^v	101.558 (16)	Tl1^vi—Se2—Se2^i	128.05 (2)
Se4^iv—Tl1—Se4^vi	153.22 (4)	Tl1^vi—Se2—Se2^ii	51.949 (16)
Se4^vii—Tl1—Se4^v	153.22 (4)	Tl1^vi—Se2—Se2^v	168.61 (2)
Se4^vii—Tl1—Se4^vi	101.558 (16)	Tl1^vi—Se2—Se2^vi	110.899 (15)
Se4^v—Tl1—Se4^vi	71.529 (19)	Tl1^vi—Se2—Se3^x	98.64 (2)
Tl1^xi—Tl2—Tl1^vi	180.0 (5)	Tl1^vi—Se2—Se3^xi	61.888 (19)
Tl1^xi—Tl2—Tl2^i	90	Tl1^vi—Se2—Se4	57.184 (19)
Tl1^xi—Tl2—Tl2^ii	90	Tl2^i—Se2—Tl2	62.186 (13)
Tl1^xi—Tl2—Se2	146.55 (2)	Tl2^i—Se2—In2	125.34 (2)
Tl1^xi—Tl2—Se2^ii	146.55 (2)	Tl2^i—Se2—In2^v	95.178 (13)
Tl1^xi—Tl2—Se2^viii	33.45 (2)	Tl2^i—Se2—In2^vi	147.42 (2)
Tl1^xi—Tl2—Se2^ix	33.45 (2)	Tl2^i—Se2—Se1	123.962 (15)
Tl1^xi—Tl2—Se4	88.30 (5)	Tl2^i—Se2—Se2^i	58.907 (12)
Tl1^xi—Tl2—Se4^ii	88.30 (5)	Tl2^i—Se2—Se2^ii	121.093 (19)
Tl1^xi—Tl2—Se4^viii	91.70 (5)	Tl2^i—Se2—Se2^v	117.058 (10)
Tl1^xi—Tl2—Se4^ix	91.70 (5)	Tl2^i—Se2—Se2^vi	167.79 (2)
Tl1^vi—Tl2—Tl2^i	90	Tl2^i—Se2—Se3^x	67.384 (13)
Tl1^vi—Tl2—Tl2^ii	90	Tl2^i—Se2—Se3^xi	97.822 (17)
Tl1^vi—Tl2—Se2	33.45 (2)	Tl2^i—Se2—Se4	50.873 (12)
Tl1^vi—Tl2—Se2^ii	33.45 (2)	Tl2—Se2—In2	125.34 (2)
Tl1^vi—Tl2—Se2^viii	146.55 (2)	Tl2—Se2—In2^v	147.42 (2)
Tl1^vi—Tl2—Se2^ix	146.55 (2)	Tl2—Se2—In2^vi	95.178 (13)
Tl1^vi—Tl2—Se4	91.70 (5)	Tl2—Se2—Se1	123.962 (15)
Tl1^vi—Tl2—Se4^ii	91.70 (5)	Tl2—Se2—Se2^i	121.093 (19)
Tl1^vi—Tl2—Se4^viii	88.30 (5)	Tl2—Se2—Se2^ii	58.907 (12)
Tl1^vi—Tl2—Se4^ix	88.30 (5)	Tl2—Se2—Se2^v	167.79 (2)
Tl2^i—Tl2—Tl2^ii	180.0 (5)	Tl2—Se2—Se2^vi	117.058 (10)
Tl2^i—Tl2—Se2	58.907 (6)	Tl2—Se2—Se3^x	97.822 (17)
Tl2^i—Tl2—Se2^ii	121.093 (6)	Tl2—Se2—Se3^xi	67.384 (13)
Tl2^i—Tl2—Se2^viii	58.907 (6)	Tl2—Se2—Se4	50.873 (12)
Tl2^i—Tl2—Se2^ix	121.093 (6)	In2—Se2—In2^v	86.47 (2)
Tl2^i—Tl2—Se4	52.785 (7)	In2—Se2—In2^vi	86.47 (2)
Tl2^i—Tl2—Se4^ii	127.215 (7)	In2—Se2—Se1	96.79 (3)
Tl2^i—Tl2—Se4^viii	52.785 (7)	In2—Se2—Se2^v	43.875 (14)
Tl2^i—Tl2—Se4^ix	127.215 (7)	In2—Se2—Se2^vi	43.875 (14)
Tl2^ii—Tl2—Se2	121.093 (6)	In2—Se2—Se3^x	136.53 (2)
Tl2^ii—Tl2—Se2^ii	58.907 (6)	In2—Se2—Se3^xi	136.53 (2)
Tl2^ii—Tl2—Se2^viii	121.093 (6)	In2—Se2—Se4	89.96 (2)
Tl2^ii—Tl2—Se2^ix	58.907 (6)	In2^v—Se2—In2^vi	93.52 (3)
Tl2^ii—Tl2—Se4	127.215 (7)	In2^v—Se2—Se1	47.915 (14)
Tl2^ii—Tl2—Se4^ii	52.785 (7)	In2^v—Se2—Se2^i	43.241 (14)
Tl2^ii—Tl2—Se4^viii	127.215 (7)	In2^v—Se2—Se2^ii	136.76 (3)
Tl2^ii—Tl2—Se4^ix	52.785 (7)	In2^v—Se2—Se2^v	42.593 (15)
Se2—Tl2—Se2^ii	62.186 (10)	In2^v—Se2—Se2^vi	90.05 (2)
Se2—Tl2—Se2^viii	117.814 (10)	In2^v—Se2—Se3^x	50.066 (15)
Se2—Tl2—Se2^ix	180.0 (5)	In2^v—Se2—Se3^xi	95.31 (2)
Se2—Tl2—Se4	63.828 (16)	In2^v—Se2—Se4	133.020 (14)
Se2—Tl2—Se4^ii	100.580 (14)	In2^vi—Se2—Se1	47.915 (14)
Se2—Tl2—Se4^viii	79.420 (14)	In2^vi—Se2—Se2^i	136.76 (3)
Se2—Tl2—Se4^ix	116.172 (16)	In2^vi—Se2—Se2^ii	43.241 (14)
Se2^ii—Tl2—Se2^viii	180.0 (5)	In2^vi—Se2—Se2^v	90.05 (2)
Se2^ii—Tl2—Se2^ix	117.814 (10)	In2^vi—Se2—Se2^vi	42.593 (15)
Se2^ii—Tl2—Se4	100.580 (14)	In2^vi—Se2—Se3^x	95.31 (2)
Se2^ii—Tl2—Se4^ii	63.828 (16)	In2^vi—Se2—Se3^xi	50.066 (15)
Se2^ii—Tl2—Se4^viii	116.172 (16)	In2^vi—Se2—Se4	133.020 (14)
Se2^ii—Tl2—Se4^ix	79.420 (14)	Se1—Se2—Se2^v	67.339 (17)
Se2^viii—Tl2—Se2^ix	62.186 (10)	Se1—Se2—Se2^vi	67.339 (17)
Se2^viii—Tl2—Se4	79.420 (14)	Se1—Se2—Se3^x	56.591 (16)
Se2^viii—Tl2—Se4^ii	116.172 (16)	Se1—Se2—Se3^xi	56.591 (16)
Se2^viii—Tl2—Se4^viii	63.828 (16)	Se1—Se2—Se4	173.25 (2)
Se2^viii—Tl2—Se4^ix	100.580 (14)	Se2^i—Se2—Se2^ii	180.0 (5)
Se2^ix—Tl2—Se4	116.172 (16)	Se2^i—Se2—Se2^v	59.612 (13)
Se2^ix—Tl2—Se4^ii	79.420 (14)	Se2^i—Se2—Se2^vi	120.388 (19)
Se2^ix—Tl2—Se4^viii	100.580 (14)	Se2^i—Se2—Se3^x	59.729 (11)
Se2^ix—Tl2—Se4^ix	63.828 (16)	Se2^i—Se2—Se3^xi	120.271 (16)
Se4—Tl2—Se4^ii	74.429 (12)	Se2^ii—Se2—Se2^v	120.388 (19)
Se4—Tl2—Se4^viii	105.571 (12)	Se2^ii—Se2—Se2^vi	59.612 (13)
Se4—Tl2—Se4^ix	180.0 (5)	Se2^ii—Se2—Se3^x	120.271 (16)
Se4^ii—Tl2—Se4^viii	180.0 (5)	Se2^ii—Se2—Se3^xi	59.729 (11)
Se4^ii—Tl2—Se4^ix	105.571 (12)	Se2^v—Se2—Se2^vi	60.777 (14)
Se4^viii—Tl2—Se4^ix	74.429 (12)	Se2^v—Se2—Se3^x	92.659 (16)
In1^i—In1—In1^ii	180.0 (5)	Se2^v—Se2—Se3^xi	123.81 (2)
In1^i—In1—In3^x	57.447 (5)	Se2^v—Se2—Se4	118.249 (18)
In1^i—In1—In3^xi	122.553 (5)	Se2^vi—Se2—Se3^x	123.81 (2)
In1^i—In1—In3^xii	57.447 (5)	Se2^vi—Se2—Se3^xi	92.659 (16)
In1^i—In1—In3^xiii	122.553 (5)	Se2^vi—Se2—Se4	118.249 (18)
In1^i—In1—Se3^x	42.872 (10)	Se3^x—Se2—Se3^xi	60.542 (13)
In1^i—In1—Se3^xi	137.128 (10)	Se3^x—Se2—Se4	117.94 (2)
In1^i—In1—Se3^xii	42.872 (10)	Se3^xi—Se2—Se4	117.94 (2)
In1^i—In1—Se3^xiii	137.128 (10)	Tl1^iii—Se3—In1^iv	97.18 (2)
In1^i—In1—Se4^xiv	90	Tl1^iii—Se3—In1^vii	97.18 (2)
In1^i—In1—Se4^viii	90	Tl1^iii—Se3—Cr^iv	97.18 (2)
In1^ii—In1—Cr^i	180.0 (5)	Tl1^iii—Se3—Cr^vii	97.18 (2)
In1^ii—In1—In3^x	122.553 (5)	Tl1^iii—Se3—In2^iii	74.45 (2)
In1^ii—In1—In3^xi	57.447 (5)	Tl1^iii—Se3—In3^xv	172.46 (3)
In1^ii—In1—In3^xii	122.553 (5)	Tl1^iii—Se3—Se1^iv	107.29 (2)
In1^ii—In1—In3^xiii	57.447 (5)	Tl1^iii—Se3—Se1^vii	107.29 (2)
In1^ii—In1—Se3^x	137.128 (10)	Tl1^iii—Se3—Se2^iv	49.567 (17)
In1^ii—In1—Se3^xi	42.872 (10)	Tl1^iii—Se3—Se2^vii	49.567 (17)
In1^ii—In1—Se3^xii	137.128 (10)	Tl1^iii—Se3—Se3^xv	100.59 (3)
In1^ii—In1—Se3^xiii	42.872 (10)	Tl1^iii—Se3—Se4^xvi	141.961 (17)
In1^ii—In1—Se4^xiv	90	Tl1^iii—Se3—Se4^xvii	141.961 (17)
In1^ii—In1—Se4^viii	90	Tl1^iii—Se3—Se4^v	52.372 (17)
Cr^i—In1—Cr^ii	180.0 (5)	Tl1^iii—Se3—Se4^vi	52.372 (17)
Cr^i—In1—In3^x	57.447 (5)	In1^iv—Se3—In1^vii	94.256 (19)
Cr^i—In1—In3^xi	122.553 (5)	In1^iv—Se3—Cr^vii	94.256 (19)
Cr^i—In1—In3^xii	57.447 (5)	In1^iv—Se3—In2^iii	132.673 (10)
Cr^i—In1—In3^xiii	122.553 (5)	In1^iv—Se3—In3^xv	87.929 (17)
Cr^i—In1—Se3^x	42.872 (10)	In1^iv—Se3—Se1^iv	94.758 (12)
Cr^i—In1—Se3^xi	137.128 (10)	In1^iv—Se3—Se1^vii	152.58 (2)
Cr^i—In1—Se3^xii	42.872 (10)	In1^iv—Se3—Se2^iv	95.340 (12)
Cr^i—In1—Se3^xiii	137.128 (10)	In1^iv—Se3—Se2^vii	146.30 (2)
Cr^ii—In1—In3^x	122.553 (5)	In1^iv—Se3—Se3^i	42.872 (9)
Cr^ii—In1—In3^xi	57.447 (5)	In1^iv—Se3—Se3^ii	137.128 (19)
Cr^ii—In1—In3^xii	122.553 (5)	In1^iv—Se3—Se3^xv	47.128 (10)
Cr^ii—In1—In3^xiii	57.447 (5)	In1^iv—Se3—Se4^xvi	45.411 (12)
Cr^ii—In1—Se3^x	137.128 (10)	In1^iv—Se3—Se4^xvii	93.072 (18)
Cr^ii—In1—Se3^xi	42.872 (10)	In1^iv—Se3—Se4^v	45.298 (13)
Cr^ii—In1—Se3^xii	137.128 (10)	In1^iv—Se3—Se4^vi	92.907 (19)
Cr^ii—In1—Se3^xiii	42.872 (10)	In1^vii—Se3—Cr^iv	94.256 (19)
In3^x—In1—In3^xi	65.105 (9)	In1^vii—Se3—Cr^vii	0.0 (5)
In3^x—In1—In3^xii	114.895 (9)	In1^vii—Se3—In2^iii	132.673 (10)
In3^x—In1—In3^xiii	180.0 (5)	In1^vii—Se3—In3^xv	87.929 (17)
In3^x—In1—Se3^x	85.411 (15)	In1^vii—Se3—Se1^iv	152.58 (2)
In3^x—In1—Se3^xi	135.128 (16)	In1^vii—Se3—Se1^vii	94.758 (12)
In3^x—In1—Se3^xii	44.872 (16)	In1^vii—Se3—Se2^iv	146.30 (2)
In3^x—In1—Se3^xiii	94.589 (15)	In1^vii—Se3—Se2^vii	95.340 (12)
In3^x—In1—Se4^xiv	134.936 (11)	In1^vii—Se3—Se3^i	137.128 (19)
In3^x—In1—Se4^viii	45.064 (11)	In1^vii—Se3—Se3^ii	42.872 (9)
In3^xi—In1—In3^xii	180.0 (5)	In1^vii—Se3—Se3^xv	47.128 (10)
In3^xi—In1—In3^xiii	114.895 (9)	In1^vii—Se3—Se4^xvi	93.072 (18)
In3^xi—In1—Se3^x	135.128 (16)	In1^vii—Se3—Se4^xvii	45.411 (12)
In3^xi—In1—Se3^xi	85.411 (15)	In1^vii—Se3—Se4^v	92.907 (19)
In3^xi—In1—Se3^xii	94.589 (15)	In1^vii—Se3—Se4^vi	45.298 (13)
In3^xi—In1—Se3^xiii	44.872 (16)	Cr^iv—Se3—Cr^vii	94.256 (19)
In3^xi—In1—Se4^xiv	134.936 (11)	Cr^iv—Se3—In2^iii	132.673 (10)
In3^xi—In1—Se4^viii	45.064 (11)	Cr^iv—Se3—In3^xv	87.929 (17)
In3^xii—In1—In3^xiii	65.105 (9)	Cr^iv—Se3—Se1^iv	94.758 (12)
In3^xii—In1—Se3^x	44.872 (16)	Cr^iv—Se3—Se1^vii	152.58 (2)
In3^xii—In1—Se3^xi	94.589 (15)	Cr^iv—Se3—Se2^iv	95.340 (12)
In3^xii—In1—Se3^xii	85.411 (15)	Cr^iv—Se3—Se2^vii	146.30 (2)
In3^xii—In1—Se3^xiii	135.128 (16)	Cr^iv—Se3—Se3^i	42.872 (9)
In3^xii—In1—Se4^xiv	45.064 (11)	Cr^iv—Se3—Se3^ii	137.128 (19)
In3^xii—In1—Se4^viii	134.936 (11)	Cr^iv—Se3—Se3^xv	47.128 (10)
In3^xiii—In1—Se3^x	94.589 (15)	Cr^iv—Se3—Se4^xvi	45.411 (12)
In3^xiii—In1—Se3^xi	44.872 (16)	Cr^iv—Se3—Se4^xvii	93.072 (18)
In3^xiii—In1—Se3^xii	135.128 (16)	Cr^iv—Se3—Se4^v	45.298 (13)
In3^xiii—In1—Se3^xiii	85.411 (15)	Cr^iv—Se3—Se4^vi	92.907 (19)
In3^xiii—In1—Se4^xiv	45.064 (11)	Cr^vii—Se3—In2^iii	132.673 (10)
In3^xiii—In1—Se4^viii	134.936 (11)	Cr^vii—Se3—In3^xv	87.929 (17)
Se3^x—In1—Se3^xi	94.256 (15)	Cr^vii—Se3—Se1^iv	152.58 (2)
Se3^x—In1—Se3^xii	85.744 (15)	Cr^vii—Se3—Se1^vii	94.758 (12)
Se3^x—In1—Se3^xiii	180.0 (5)	Cr^vii—Se3—Se2^iv	146.30 (2)
Se3^x—In1—Se4^xiv	89.889 (17)	Cr^vii—Se3—Se2^vii	95.340 (12)
Se3^x—In1—Se4^viii	90.111 (17)	Cr^vii—Se3—Se3^i	137.128 (19)
Se3^xi—In1—Se3^xii	180.0 (5)	Cr^vii—Se3—Se3^ii	42.872 (9)
Se3^xi—In1—Se3^xiii	85.744 (15)	Cr^vii—Se3—Se3^xv	47.128 (10)
Se3^xi—In1—Se4^xiv	89.889 (17)	Cr^vii—Se3—Se4^xvi	93.072 (18)
Se3^xi—In1—Se4^viii	90.111 (17)	Cr^vii—Se3—Se4^xvii	45.411 (12)
Se3^xii—In1—Se3^xiii	94.256 (15)	Cr^vii—Se3—Se4^v	92.907 (19)
Se3^xii—In1—Se4^xiv	90.111 (17)	Cr^vii—Se3—Se4^vi	45.298 (13)
Se3^xii—In1—Se4^viii	89.889 (17)	In2^iii—Se3—In3^xv	98.01 (3)
Se3^xiii—In1—Se4^xiv	90.111 (17)	In2^iii—Se3—Se1^iv	47.708 (13)
Se3^xiii—In1—Se4^viii	89.889 (17)	In2^iii—Se3—Se1^vii	47.708 (13)
In1^i—Cr—In3^x	57.447 (5)	In2^iii—Se3—Se2^iv	43.670 (13)
In1^i—Cr—In3^xi	122.553 (5)	In2^iii—Se3—Se2^vii	43.670 (13)
In1^i—Cr—In3^xii	57.447 (5)	In2^iii—Se3—Se3^i	90.000 (11)
In1^i—Cr—In3^xiii	122.553 (5)	In2^iii—Se3—Se3^ii	90.000 (11)
In1^i—Cr—Se3^x	42.872 (10)	In2^iii—Se3—Se3^xv	175.04 (3)
In1^i—Cr—Se3^xi	137.128 (10)	In2^iii—Se3—Se4^xvi	122.44 (2)
In1^i—Cr—Se3^xii	42.872 (10)	In2^iii—Se3—Se4^xvii	122.44 (2)
In1^i—Cr—Se3^xiii	137.128 (10)	In2^iii—Se3—Se4^v	114.61 (2)
In1^ii—Cr—In3^x	122.553 (5)	In2^iii—Se3—Se4^vi	114.61 (2)
In1^ii—Cr—In3^xi	57.447 (5)	In3^xv—Se3—Se1^iv	66.595 (18)
In1^ii—Cr—In3^xii	122.553 (5)	In3^xv—Se3—Se1^vii	66.595 (18)
In1^ii—Cr—In3^xiii	57.447 (5)	In3^xv—Se3—Se2^iv	124.62 (2)
In1^ii—Cr—Se3^x	137.128 (10)	In3^xv—Se3—Se2^vii	124.62 (2)
In1^ii—Cr—Se3^xi	42.872 (10)	In3^xv—Se3—Se3^i	90.000 (14)
In1^ii—Cr—Se3^xii	137.128 (10)	In3^xv—Se3—Se3^ii	90.000 (14)
In1^ii—Cr—Se3^xiii	42.872 (10)	In3^xv—Se3—Se3^xv	86.96 (2)
Cr^i—Cr—Cr^ii	180.0 (5)	In3^xv—Se3—Se4^xvi	42.569 (14)
Cr^i—Cr—In3^x	57.447 (5)	In3^xv—Se3—Se4^xvii	42.569 (14)
Cr^i—Cr—In3^xi	122.553 (5)	In3^xv—Se3—Se4^v	133.180 (18)
Cr^i—Cr—In3^xii	57.447 (5)	In3^xv—Se3—Se4^vi	133.180 (18)
Cr^i—Cr—In3^xiii	122.553 (5)	Se1^iv—Se3—Se1^vii	66.594 (15)
Cr^i—Cr—Se3^x	42.872 (10)	Se1^iv—Se3—Se2^iv	58.029 (16)
Cr^i—Cr—Se3^xi	137.128 (10)	Se1^iv—Se3—Se2^vii	91.374 (18)
Cr^i—Cr—Se3^xii	42.872 (10)	Se1^iv—Se3—Se3^i	56.703 (12)
Cr^i—Cr—Se3^xiii	137.128 (10)	Se1^iv—Se3—Se3^ii	123.297 (18)
Cr^ii—Cr—In3^x	122.553 (5)	Se1^iv—Se3—Se3^xv	135.502 (16)
Cr^ii—Cr—In3^xi	57.447 (5)	Se1^iv—Se3—Se4^xvi	75.321 (16)
Cr^ii—Cr—In3^xii	122.553 (5)	Se1^iv—Se3—Se4^xvii	108.22 (2)
Cr^ii—Cr—In3^xiii	57.447 (5)	Se1^iv—Se3—Se4^v	111.678 (12)
Cr^ii—Cr—Se3^x	137.128 (10)	Se1^iv—Se3—Se4^vi	159.11 (2)
Cr^ii—Cr—Se3^xi	42.872 (10)	Se1^vii—Se3—Se2^iv	91.374 (18)
Cr^ii—Cr—Se3^xii	137.128 (10)	Se1^vii—Se3—Se2^vii	58.029 (16)
Cr^ii—Cr—Se3^xiii	42.872 (10)	Se1^vii—Se3—Se3^i	123.297 (18)
In3^x—Cr—In3^xi	65.105 (9)	Se1^vii—Se3—Se3^ii	56.703 (12)
In3^x—Cr—In3^xii	114.895 (9)	Se1^vii—Se3—Se3^xv	135.502 (16)
In3^x—Cr—In3^xiii	180.0 (5)	Se1^vii—Se3—Se4^xvi	108.22 (2)
In3^x—Cr—Se3^x	85.411 (15)	Se1^vii—Se3—Se4^xvii	75.321 (16)
In3^x—Cr—Se3^xi	135.128 (16)	Se1^vii—Se3—Se4^v	159.11 (2)
In3^x—Cr—Se3^xii	44.872 (16)	Se1^vii—Se3—Se4^vi	111.678 (12)
In3^x—Cr—Se3^xiii	94.589 (15)	Se2^iv—Se3—Se2^vii	60.542 (13)
In3^x—Cr—Se4^xiv	134.936 (11)	Se2^iv—Se3—Se3^i	59.729 (11)
In3^x—Cr—Se4^viii	45.064 (11)	Se2^iv—Se3—Se3^ii	120.271 (16)
In3^xi—Cr—In3^xii	180.0 (5)	Se2^iv—Se3—Se3^xv	132.827 (19)
In3^xi—Cr—In3^xiii	114.895 (9)	Se2^iv—Se3—Se4^xvi	116.325 (11)
In3^xi—Cr—Se3^x	135.128 (16)	Se2^iv—Se3—Se4^xvii	164.40 (2)
In3^xi—Cr—Se3^xi	85.411 (15)	Se2^iv—Se3—Se4^v	71.825 (16)
In3^xi—Cr—Se3^xii	94.589 (15)	Se2^iv—Se3—Se4^vi	101.93 (2)
In3^xi—Cr—Se3^xiii	44.872 (16)	Se2^vii—Se3—Se3^i	120.271 (16)
In3^xi—Cr—Se4^xiv	134.936 (11)	Se2^vii—Se3—Se3^ii	59.729 (11)
In3^xi—Cr—Se4^viii	45.064 (11)	Se2^vii—Se3—Se3^xv	132.827 (19)
In3^xii—Cr—In3^xiii	65.105 (9)	Se2^vii—Se3—Se4^xvi	164.40 (2)
In3^xii—Cr—Se3^x	44.872 (16)	Se2^vii—Se3—Se4^xvii	116.325 (11)
In3^xii—Cr—Se3^xi	94.589 (15)	Se2^vii—Se3—Se4^v	101.93 (2)
In3^xii—Cr—Se3^xii	85.411 (15)	Se2^vii—Se3—Se4^vi	71.825 (16)
In3^xii—Cr—Se3^xiii	135.128 (16)	Se3^i—Se3—Se3^ii	180.0 (5)
In3^xii—Cr—Se4^xiv	45.064 (11)	Se3^i—Se3—Se3^xv	90.000 (12)
In3^xii—Cr—Se4^viii	134.936 (11)	Se3^i—Se3—Se4^xvi	58.969 (11)
In3^xiii—Cr—Se3^x	94.589 (15)	Se3^i—Se3—Se4^xvii	121.031 (17)
In3^xiii—Cr—Se3^xi	44.872 (16)	Se3^i—Se3—Se4^v	59.036 (12)
In3^xiii—Cr—Se3^xii	135.128 (16)	Se3^i—Se3—Se4^vi	120.964 (19)
In3^xiii—Cr—Se3^xiii	85.411 (15)	Se3^ii—Se3—Se3^xv	90.000 (12)
In3^xiii—Cr—Se4^xiv	45.064 (11)	Se3^ii—Se3—Se4^xvi	121.031 (17)
In3^xiii—Cr—Se4^viii	134.936 (11)	Se3^ii—Se3—Se4^xvii	58.969 (11)
Se3^x—Cr—Se3^xi	94.256 (15)	Se3^ii—Se3—Se4^v	120.964 (19)
Se3^x—Cr—Se3^xii	85.744 (15)	Se3^ii—Se3—Se4^vi	59.036 (12)
Se3^x—Cr—Se3^xiii	180.0 (5)	Se3^xv—Se3—Se4^xvi	61.541 (16)
Se3^x—Cr—Se4^xiv	89.889 (17)	Se3^xv—Se3—Se4^xvii	61.541 (16)
Se3^x—Cr—Se4^viii	90.111 (17)	Se3^xv—Se3—Se4^v	61.336 (16)
Se3^xi—Cr—Se3^xii	180.0 (5)	Se3^xv—Se3—Se4^vi	61.336 (16)
Se3^xi—Cr—Se3^xiii	85.744 (15)	Se4^xvi—Se3—Se4^xvii	62.063 (14)
Se3^xi—Cr—Se4^xiv	89.889 (17)	Se4^xvi—Se3—Se4^v	90.709 (15)
Se3^xi—Cr—Se4^viii	90.111 (17)	Se4^xvi—Se3—Se4^vi	122.88 (2)
Se3^xii—Cr—Se3^xiii	94.256 (15)	Se4^xvii—Se3—Se4^v	122.88 (2)
Se3^xii—Cr—Se4^xiv	90.111 (17)	Se4^xvii—Se3—Se4^vi	90.709 (15)
Se3^xii—Cr—Se4^viii	89.889 (17)	Se4^v—Se3—Se4^vi	61.929 (14)
Se3^xiii—Cr—Se4^xiv	90.111 (17)	Tl1^x—Se4—Tl1^xi	72.644 (18)
Se3^xiii—Cr—Se4^viii	89.889 (17)	Tl1^x—Se4—Tl1^v	26.78 (3)
In2^i—In2—In2^v	57.450 (8)	Tl1^x—Se4—Tl1^vi	78.44 (2)
In2^i—In2—In2^vi	122.550 (12)	Tl1^x—Se4—Tl2^i	13.482 (18)
In2^i—In2—Se1^v	43.568 (12)	Tl1^x—Se4—Tl2	75.169 (16)
In2^i—In2—Se1^vi	136.432 (19)	Tl1^x—Se4—In1^xviii	105.91 (3)
In2^i—In2—Se2^v	43.241 (14)	Tl1^x—Se4—Cr^xviii	105.91 (3)
In2^i—In2—Se2^vi	136.76 (2)	Tl1^x—Se4—In3^v	93.230 (15)
In2^i—In2—Se3^iii	90.000 (9)	Tl1^x—Se4—In3^vi	162.86 (3)
In2^ii—In2—In2^v	122.550 (12)	Tl1^x—Se4—Se2	78.09 (2)
In2^ii—In2—In2^vi	57.450 (8)	Tl1^x—Se4—Se3^xix	104.602 (16)
In2^ii—In2—Se1^v	136.432 (19)	Tl1^x—Se4—Se3^xx	149.63 (3)
In2^ii—In2—Se1^vi	43.568 (12)	Tl1^x—Se4—Se3^v	61.88 (2)
In2^ii—In2—Se2^v	136.76 (2)	Tl1^x—Se4—Se3^vi	97.94 (2)
In2^ii—In2—Se2^vi	43.241 (14)	Tl1^x—Se4—Se4^i	53.678 (12)
In2^v—In2—In2^vi	65.100 (11)	Tl1^x—Se4—Se4^ii	126.322 (19)
In2^v—In2—Se1^v	95.040 (13)	Tl1^xi—Se4—Tl1^v	78.44 (2)
In2^v—In2—Se1^vi	150.17 (2)	Tl1^xi—Se4—Tl1^vi	26.78 (3)
In2^v—In2—Se2	47.491 (14)	Tl1^xi—Se4—Tl2^i	75.169 (16)
In2^v—In2—Se2^v	46.041 (16)	Tl1^xi—Se4—Tl2	13.482 (18)
In2^v—In2—Se2^vi	95.149 (19)	Tl1^xi—Se4—In1^xviii	105.91 (3)
In2^v—In2—Se3^iii	132.304 (17)	Tl1^xi—Se4—Cr^xviii	105.91 (3)
In2^vi—In2—Se1^v	150.17 (2)	Tl1^xi—Se4—In3^v	162.86 (3)
In2^vi—In2—Se1^vi	95.040 (13)	Tl1^xi—Se4—In3^vi	93.230 (15)
In2^vi—In2—Se2	47.491 (14)	Tl1^xi—Se4—Se2	78.09 (2)
In2^vi—In2—Se2^v	95.149 (19)	Tl1^xi—Se4—Se3^xix	149.63 (3)
In2^vi—In2—Se2^vi	46.041 (16)	Tl1^xi—Se4—Se3^xx	104.602 (16)
In2^vi—In2—Se3^iii	132.304 (17)	Tl1^xi—Se4—Se3^v	97.94 (2)
Se1^v—In2—Se1^vi	92.86 (2)	Tl1^xi—Se4—Se3^vi	61.88 (2)
Se1^v—In2—Se2	102.70 (2)	Tl1^xi—Se4—Se4^i	126.322 (19)
Se1^v—In2—Se2^v	84.510 (16)	Tl1^xi—Se4—Se4^ii	53.678 (12)
Se1^v—In2—Se2^vi	163.74 (3)	Tl1^v—Se4—Tl1^vi	71.529 (18)
Se1^v—In2—Se3^iii	77.503 (18)	Tl1^v—Se4—Tl2^i	13.300 (18)
Se1^vi—In2—Se2	102.70 (2)	Tl1^v—Se4—Tl2	74.560 (17)
Se1^vi—In2—Se2^v	163.74 (3)	Tl1^v—Se4—In1^xviii	130.51 (2)
Se1^vi—In2—Se2^vi	84.510 (16)	Tl1^v—Se4—Cr^xviii	130.51 (2)
Se1^vi—In2—Se3^iii	77.503 (18)	Tl1^v—Se4—In3^v	84.600 (17)
Se2—In2—Se2^v	93.53 (2)	Tl1^v—Se4—In3^vi	142.48 (3)
Se2—In2—Se2^vi	93.53 (2)	Tl1^v—Se4—Se2	52.84 (2)
Se2—In2—Se3^iii	179.70 (3)	Tl1^v—Se4—Se3^xix	113.150 (12)
Se2^v—In2—Se2^vi	93.52 (2)	Tl1^v—Se4—Se3^xx	174.69 (2)
Se2^v—In2—Se3^iii	86.26 (2)	Tl1^v—Se4—Se3^v	85.96 (2)
Se2^vi—In2—Se3^iii	86.26 (2)	Tl1^v—Se4—Se3^vi	122.07 (3)
In1^iv—In3—In1^vii	65.105 (11)	Tl1^v—Se4—Se4^i	54.236 (13)
In1^iv—In3—Cr^iv	0.0 (5)	Tl1^v—Se4—Se4^ii	125.764 (19)
In1^iv—In3—Cr^vii	65.105 (11)	Tl1^vi—Se4—Tl2^i	74.560 (17)
In1^iv—In3—In3^i	57.447 (8)	Tl1^vi—Se4—Tl2	13.300 (18)
In1^iv—In3—In3^ii	122.553 (14)	Tl1^vi—Se4—In1^xviii	130.51 (2)
In1^iv—In3—Se1	146.097 (7)	Tl1^vi—Se4—Cr^xviii	130.51 (2)
In1^iv—In3—Se1^xii	81.246 (13)	Tl1^vi—Se4—In3^v	142.48 (3)
In1^iv—In3—Se1^xiii	117.067 (18)	Tl1^vi—Se4—In3^vi	84.600 (17)
In1^iv—In3—Se3^xv	47.199 (12)	Tl1^vi—Se4—Se2	52.84 (2)
In1^iv—In3—Se4^v	47.930 (17)	Tl1^vi—Se4—Se3^xix	174.69 (2)
In1^iv—In3—Se4^vi	98.44 (2)	Tl1^vi—Se4—Se3^xx	113.150 (12)
In1^vii—In3—Cr^iv	65.105 (11)	Tl1^vi—Se4—Se3^v	122.07 (3)
In1^vii—In3—Cr^vii	0.0 (5)	Tl1^vi—Se4—Se3^vi	85.96 (2)
In1^vii—In3—In3^i	122.553 (14)	Tl1^vi—Se4—Se4^i	125.764 (19)
In1^vii—In3—In3^ii	57.447 (8)	Tl1^vi—Se4—Se4^ii	54.236 (13)
In1^vii—In3—Se1	146.097 (7)	Tl2^i—Se4—Tl2	74.429 (15)
In1^vii—In3—Se1^xii	117.067 (18)	Tl2^i—Se4—In1^xviii	118.427 (18)
In1^vii—In3—Se1^xiii	81.246 (13)	Tl2^i—Se4—Cr^xviii	118.427 (18)
In1^vii—In3—Se3^xv	47.199 (12)	Tl2^i—Se4—In3^v	88.858 (13)
In1^vii—In3—Se4^v	98.44 (2)	Tl2^i—Se4—In3^vi	153.93 (3)
In1^vii—In3—Se4^vi	47.930 (17)	Tl2^i—Se4—Se2	65.299 (14)
Cr^iv—In3—Cr^vii	65.105 (11)	Tl2^i—Se4—Se3^xix	109.398 (10)
Cr^iv—In3—In3^i	57.447 (8)	Tl2^i—Se4—Se3^xx	162.88 (2)
Cr^iv—In3—In3^ii	122.553 (14)	Tl2^i—Se4—Se3^v	73.913 (13)
Cr^iv—In3—Se1	146.097 (7)	Tl2^i—Se4—Se3^vi	110.197 (19)
Cr^iv—In3—Se1^xii	81.246 (13)	Tl2^i—Se4—Se4^i	52.785 (10)
Cr^iv—In3—Se1^xiii	117.067 (18)	Tl2^i—Se4—Se4^ii	127.215 (17)
Cr^iv—In3—Se3^xv	47.199 (12)	Tl2—Se4—In1^xviii	118.427 (18)
Cr^iv—In3—Se4^v	47.930 (17)	Tl2—Se4—Cr^xviii	118.427 (18)
Cr^iv—In3—Se4^vi	98.44 (2)	Tl2—Se4—In3^v	153.93 (3)
Cr^vii—In3—In3^i	122.553 (14)	Tl2—Se4—In3^vi	88.858 (13)
Cr^vii—In3—In3^ii	57.447 (8)	Tl2—Se4—Se2	65.299 (14)
Cr^vii—In3—Se1	146.097 (7)	Tl2—Se4—Se3^xix	162.88 (2)
Cr^vii—In3—Se1^xii	117.067 (18)	Tl2—Se4—Se3^xx	109.398 (10)
Cr^vii—In3—Se1^xiii	81.246 (13)	Tl2—Se4—Se3^v	110.197 (19)
Cr^vii—In3—Se3^xv	47.199 (12)	Tl2—Se4—Se3^vi	73.913 (13)
Cr^vii—In3—Se4^v	98.44 (2)	Tl2—Se4—Se4^i	127.215 (17)
Cr^vii—In3—Se4^vi	47.930 (17)	Tl2—Se4—Se4^ii	52.785 (10)
In3^i—In3—In3^ii	180.0 (5)	In1^xviii—Se4—Cr^xviii	0.0 (5)
In3^i—In3—Se1^xii	55.649 (9)	In1^xviii—Se4—In3^v	87.01 (2)
In3^i—In3—Se1^xiii	124.351 (13)	In1^xviii—Se4—In3^vi	87.01 (2)
In3^i—In3—Se4^v	40.619 (12)	In1^xviii—Se4—Se2	174.94 (2)
In3^i—In3—Se4^vi	139.381 (18)	In1^xviii—Se4—Se3^xix	44.701 (13)
In3^ii—In3—Se1^xii	124.351 (13)	In1^xviii—Se4—Se3^xx	44.701 (13)
In3^ii—In3—Se1^xiii	55.649 (9)	In1^xviii—Se4—Se3^v	44.590 (12)
In3^ii—In3—Se4^v	139.381 (18)	In1^xviii—Se4—Se3^vi	44.590 (12)
In3^ii—In3—Se4^vi	40.619 (12)	In1^xviii—Se4—Se4^i	90.000 (14)
Se1—In3—Se1^xii	71.494 (18)	In1^xviii—Se4—Se4^ii	90.000 (14)
Se1—In3—Se1^xiii	71.494 (18)	Cr^xviii—Se4—In3^v	87.01 (2)
Se1—In3—Se3^xv	133.67 (3)	Cr^xviii—Se4—In3^vi	87.01 (2)
Se1—In3—Se4^v	113.92 (2)	Cr^xviii—Se4—Se2	174.94 (2)
Se1—In3—Se4^vi	113.92 (2)	Cr^xviii—Se4—Se3^xix	44.701 (13)
Se1^xii—In3—Se1^xiii	68.701 (13)	Cr^xviii—Se4—Se3^xx	44.701 (13)
Se1^xii—In3—Se3^xv	70.606 (18)	Cr^xviii—Se4—Se3^v	44.590 (12)
Se1^xii—In3—Se4^v	95.083 (14)	Cr^xviii—Se4—Se3^vi	44.590 (12)
Se1^xii—In3—Se4^vi	160.95 (2)	Cr^xviii—Se4—Se4^i	90.000 (14)
Se1^xiii—In3—Se3^xv	70.606 (18)	Cr^xviii—Se4—Se4^ii	90.000 (14)
Se1^xiii—In3—Se4^v	160.95 (2)	In3^v—Se4—In3^vi	98.76 (2)
Se1^xiii—In3—Se4^vi	95.083 (14)	In3^v—Se4—Se2	89.70 (2)
Se3^xv—In3—Se4^v	95.08 (2)	In3^v—Se4—Se3^xix	42.356 (17)
Se3^xv—In3—Se4^vi	95.08 (2)	In3^v—Se4—Se3^xx	92.50 (2)
Se4^v—In3—Se4^vi	98.76 (2)	In3^v—Se4—Se3^v	83.236 (17)
In2^v—Se1—In2^vi	92.86 (2)	In3^v—Se4—Se3^vi	131.55 (3)
In2^v—Se1—In3	112.287 (19)	In3^v—Se4—Se4^i	40.619 (12)
In2^v—Se1—In3^xii	84.802 (14)	In3^v—Se4—Se4^ii	139.38 (2)
In2^v—Se1—In3^xiii	136.64 (2)	In3^vi—Se4—Se2	89.70 (2)
In2^v—Se1—Se1^i	43.568 (12)	In3^vi—Se4—Se3^xix	92.50 (2)
In2^v—Se1—Se1^ii	136.43 (2)	In3^vi—Se4—Se3^xx	42.356 (17)
In2^v—Se1—Se1^xii	100.184 (12)	In3^vi—Se4—Se3^v	131.55 (3)
In2^v—Se1—Se1^xiii	166.119 (16)	In3^vi—Se4—Se3^vi	83.236 (17)
In2^v—Se1—Se2	47.575 (13)	In3^vi—Se4—Se4^i	139.38 (2)
In2^v—Se1—Se3^x	54.788 (16)	In3^vi—Se4—Se4^ii	40.619 (12)
In2^v—Se1—Se3^xi	102.65 (2)	Se2—Se4—Se3^xix	131.745 (18)
In2^vi—Se1—In3	112.287 (19)	Se2—Se4—Se3^xx	131.745 (18)
In2^vi—Se1—In3^xii	136.64 (2)	Se2—Se4—Se3^v	138.720 (15)
In2^vi—Se1—In3^xiii	84.802 (14)	Se2—Se4—Se3^vi	138.720 (15)
In2^vi—Se1—Se1^i	136.43 (2)	Se2—Se4—Se4^i	90.000 (14)
In2^vi—Se1—Se1^ii	43.568 (12)	Se2—Se4—Se4^ii	90.000 (14)
In2^vi—Se1—Se1^xii	166.119 (16)	Se3^xix—Se4—Se3^xx	62.063 (14)
In2^vi—Se1—Se1^xiii	100.184 (12)	Se3^xix—Se4—Se3^v	57.123 (15)
In2^vi—Se1—Se2	47.575 (13)	Se3^xix—Se4—Se3^vi	89.291 (19)
In2^vi—Se1—Se3^x	102.65 (2)	Se3^xix—Se4—Se4^i	58.969 (12)
In2^vi—Se1—Se3^xi	54.788 (16)	Se3^xix—Se4—Se4^ii	121.031 (18)
In3—Se1—In3^xii	108.51 (2)	Se3^xx—Se4—Se3^v	89.291 (19)
In3—Se1—In3^xiii	108.51 (2)	Se3^xx—Se4—Se3^vi	57.123 (15)
In3—Se1—Se1^xiii	67.047 (18)	Se3^xx—Se4—Se4^i	121.031 (18)
In3—Se1—Se2	135.19 (2)	Se3^xx—Se4—Se4^ii	58.969 (12)
In3—Se1—Se3^x	143.728 (13)	Se3^v—Se4—Se3^vi	61.929 (14)
In3—Se1—Se3^xi	143.728 (13)	Se3^v—Se4—Se4^i	59.036 (13)
In3^xii—Se1—In3^xiii	68.701 (13)	Se3^v—Se4—Se4^ii	120.964 (19)
In3^xii—Se1—Se1^i	55.649 (10)	Se3^vi—Se4—Se4^i	120.964 (19)
In3^xii—Se1—Se1^ii	124.351 (15)	Se3^vi—Se4—Se4^ii	59.036 (13)
In3^xii—Se1—Se1^xii	41.459 (14)	Se4^i—Se4—Se4^ii	180.0 (5)

Symmetry codes: (i) x, y−1, z; (ii) x, y+1, z; (iii) −x+1, y, −z+1; (iv) x+1/2, y−1/2, z; (v) −x+1/2, y−1/2, −z+1; (vi) −x+1/2, y+1/2, −z+1; (vii) x+1/2, y+1/2, z; (viii) −x, y, −z+1; (ix) −x, y+1, −z+1; (x) x−1/2, y−1/2, z; (xi) x−1/2, y+1/2, 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+1/2, y−1/2, z−1; (xvii) x+1/2, y+1/2, z−1; (xviii) x, y, z+1; (xix) x−1/2, y−1/2, z+1; (xx) x−1/2, y+1/2, z+1.