Ho0.76In1.68Mo15Se19

Salloum, D.; Gougeon, P.; Potel, M.

doi:10.1107/S1600536806007446

Ho_0.76In_1.68Mo₁₅Se₁₉

The structure of holmium indium molybdenum selenide, Ho_0.76In_1.68Mo₁₅Se₁₉, isotypic with In_2.9Mo₁₅Se₁₉ [Grüttner, Yvon, Chevrel, Potel, Sergent & Seeber (1979). Acta Cryst. B35, 285–292], is characterized by two cluster units Mo₆Seⁱ₈Se^a₆ and Mo₉Seⁱ₁₁Se^a₆ (where i = inner and a = apical) that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c and have point-group symmetry $\overline{3}$ and $\overline{6}$ , respectively. The clusters are interconnected through additional Mo—Se bonds. In the title compound, Ho³⁺ cations replace the trivalent indium observed in In_2.9Mo₁₅Se₁₉, and a deficiency is observed on the monovalent indium site.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806007446/wm2003sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806007446/wm2003Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (o-Mo) = 0.001 Å
Disorder in main residue
R factor = 0.040
wR factor = 0.088
Data-to-parameter ratio = 36.9

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc.
PLAT702_ALERT_1_C Angle   Calc   123.47(1), Rep   123.49(1), Dev..       1.70 Sigma
              SE5  -IN   -SE3     1.555   1.555   7.666
PLAT702_ALERT_1_C Angle   Calc   153.63(2), Rep   153.61(1), Dev..       1.10 Sigma
              SE2  -IN   -MO2     9.666   1.555   7.656
PLAT702_ALERT_1_C Angle   Calc    94.28(1), Rep    94.27(1), Dev..       1.40 Sigma
              SE1  -IN   -MO2     7.656   1.555   7.656
PLAT702_ALERT_1_C Angle   Calc   119.97(1), Rep      119.96, Dev..       1.30 Sigma
              MO2  -IN   -MO2     9.666   1.555   7.656

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: COLLECT; data reduction: EVALCCD (Duisenberg, 1998); program(s) used to solve structure: SIR97 (Altomare et al., 1999; program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97.

holmium indium molybdenum selenide top

Crystal data top

Ho_0.76In_1.68Mo₁₅Se₁₉	D_x = 6.713 Mg m⁻³
M_r = 3258.98	Mo Kα radiation, λ = 0.71069 Å
Hexagonal, P6₃/m	Cell parameters from 31521 reflections
Hall symbol: -P 6c	θ = 2.0–35.0°
a = 9.7969 (1) Å	µ = 30.08 mm⁻¹
c = 19.3973 (4) Å	T = 293 K
V = 1612.31 (4) Å³	Irregular block, black
Z = 2	0.08 × 0.05 × 0.03 mm
F(000) = 2820

Data collection top

Nonius Kappa CCD diffractometer	2436 independent reflections
Radiation source: fine-focus sealed tube	1625 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromator	R_int = 0.092
Detector resolution: 9 pixels mm^-1	θ_max = 35.1°, θ_min = 3.2°
φ and ω scans	h = −11→15
Absorption correction: analytical (de Meulenaar & Tompa, 1965)	k = −15→15
T_min = 0.094, T_max = 0.345	l = −31→31
28264 measured reflections

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F² > 2σ(F²)] = 0.040	Secondary atom site location: difference Fourier map
wR(F²) = 0.088	w = 1/[σ²(F_o²) + (0.0398P)² + 0.2653P] where P = (F_o² + 2F_c²)/3
S = 1.07	(Δ/σ)_max = 0.001
2436 reflections	Δρ_max = 2.64 e Å⁻³
66 parameters	Δρ_min = −2.69 e Å⁻³

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Mo1	0.16651 (5)	0.01597 (5)	0.55715 (2)	0.00634 (10)
Mo2	0.68338 (5)	0.18637 (5)	0.63335 (2)	0.00570 (10)
Mo3	0.51229 (7)	0.16779 (7)	0.7500	0.00581 (12)
Se1	0.03516 (6)	−0.28658 (6)	0.55165 (3)	0.00840 (11)
Se2	0.38029 (6)	0.00931 (6)	0.63934 (3)	0.00904 (12)
Se3	0.35216 (8)	0.31290 (9)	0.7500	0.00907 (15)
Se4	0.0000	0.0000	0.66099 (5)	0.0201 (2)
Se5	0.6667	0.3333	0.52947 (5)	0.00926 (18)
In	0.6667	0.3333	0.37147 (6)	0.0356 (4)	0.842 (3)
Ho	−0.20999 (18)	−0.17299 (16)	0.7500	0.0135 (4)	0.2553 (16)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mo1	0.0079 (2)	0.00649 (19)	0.0046 (2)	0.00365 (16)	0.00012 (15)	0.00014 (14)
Mo2	0.00623 (19)	0.00645 (19)	0.00453 (19)	0.00325 (16)	−0.00007 (15)	−0.00021 (14)
Mo3	0.0071 (3)	0.0067 (3)	0.0044 (2)	0.0040 (2)	0.000	0.000
Se1	0.0092 (2)	0.0081 (2)	0.0082 (2)	0.0046 (2)	0.00081 (18)	0.00175 (18)
Se2	0.0073 (2)	0.0080 (2)	0.0107 (3)	0.00297 (19)	−0.00287 (18)	−0.00156 (18)
Se3	0.0070 (3)	0.0119 (4)	0.0094 (3)	0.0055 (3)	0.000	0.000
Se4	0.0280 (4)	0.0280 (4)	0.0043 (4)	0.01399 (18)	0.000	0.000
Se5	0.0115 (3)	0.0115 (3)	0.0047 (4)	0.00577 (13)	0.000	0.000
In	0.0373 (5)	0.0373 (5)	0.0324 (7)	0.0186 (2)	0.000	0.000
Ho	0.0151 (8)	0.0096 (7)	0.0147 (7)	0.0053 (6)	0.000	0.000

Geometric parameters (Å, º) top

Mo1—Se4	2.5469 (9)	Se3—Mo2^x	2.6928 (6)
Mo1—Se1ⁱ	2.5526 (7)	Se3—Mo2^v	2.6928 (6)
Mo1—Se1	2.5765 (7)	Se3—Hoⁱⁱⁱ	2.7270 (16)
Mo1—Se1ⁱⁱ	2.6163 (6)	Se3—Hoⁱⁱ	2.9690 (16)
Mo1—Se2	2.6587 (7)	Se3—In^xii	4.2704 (9)
Mo1—Mo1ⁱⁱⁱ	2.7001 (7)	Se3—In^xiii	4.2704 (9)
Mo1—Mo1ⁱⁱ	2.7001 (7)	Se4—Mo1ⁱⁱⁱ	2.5469 (9)
Mo1—Mo1^iv	2.7104 (8)	Se4—Mo1ⁱⁱ	2.5469 (9)
Mo1—Mo1ⁱ	2.7104 (8)	Se4—Hoⁱⁱⁱ	2.5689 (13)
Mo1—Mo2^v	3.4666 (6)	Se4—Hoⁱⁱ	2.5689 (13)
Mo1—In^vi	4.6789 (5)	Se4—Ho	2.5689 (13)
Mo2—Se5	2.5290 (8)	Se5—Mo2^vii	2.5290 (8)
Mo2—Se2	2.5862 (6)	Se5—Mo2^v	2.5290 (8)
Mo2—Se2^vii	2.6275 (7)	In—Se5	3.0647 (15)
Mo2—Mo2^vii	2.6470 (7)	In—Se2^vi	3.1591 (5)
Mo2—Mo2^v	2.6470 (7)	In—Se2^xiv	3.1591 (5)
Mo2—Se1^viii	2.6675 (7)	In—Se2ⁱ	3.1591 (5)
Mo2—Se3^vii	2.6928 (6)	In—Se1^vi	3.5079 (7)
Mo2—Mo3^vii	2.7179 (5)	In—Se1ⁱ	3.5079 (7)
Mo2—Mo3	2.7673 (5)	In—Se1^xiv	3.5079 (7)
Mo2—In^vi	4.4980 (4)	In—Se3^iv	4.2704 (9)
Mo3—Se3^vii	2.5836 (9)	In—Se3^xv	4.2704 (9)
Mo3—Se2	2.5851 (6)	In—Se3^xiii	4.2704 (9)
Mo3—Se2^ix	2.5851 (6)	In—Mo2^xiv	4.4980 (4)
Mo3—Se3	2.5908 (9)	In—Mo2^vi	4.4980 (4)
Mo3—Mo2^x	2.7179 (5)	In—Mo2ⁱ	4.4980 (4)
Mo3—Mo2^v	2.7179 (5)	In—Ho^xvi	4.5834 (15)
Mo3—Mo3^v	2.7193 (10)	In—Ho^xvii	4.5834 (15)
Mo3—Mo3^vii	2.7193 (10)	In—Ho^xviii	4.5834 (15)
Mo3—Mo2^ix	2.7673 (5)	Ho—Se4^ix	2.5689 (13)
Mo3—Hoⁱⁱ	2.8993 (15)	Ho—Se3ⁱⁱ	2.7270 (16)
Se1—Mo1^iv	2.5526 (7)	Ho—Se2ⁱⁱⁱ	2.8314 (11)
Se1—Mo1ⁱⁱⁱ	2.6163 (6)	Ho—Se2^xix	2.8314 (11)
Se1—Mo2^xi	2.6675 (7)	Ho—Mo3ⁱⁱⁱ	2.8993 (15)
Se1—In^vi	3.5079 (7)	Ho—Se3ⁱⁱⁱ	2.9690 (16)
Se2—Mo2^v	2.6275 (6)	Ho—Hoⁱⁱⁱ	3.295 (3)
Se2—Hoⁱⁱ	2.8314 (11)	Ho—Hoⁱⁱ	3.295 (3)
Se2—In^vi	3.1591 (5)	Ho—In^xvii	4.5834 (15)
Se3—Mo3^v	2.5836 (9)	Ho—In^xx	4.5834 (15)

Se4—Mo1—Se1ⁱ	176.38 (3)	In^xii—Se3—In^xiii	66.97 (3)
Se4—Mo1—Se1	91.489 (17)	Mo1ⁱⁱⁱ—Se4—Mo1ⁱⁱ	64.02 (3)
Se1ⁱ—Mo1—Se1	89.250 (17)	Mo1ⁱⁱⁱ—Se4—Mo1	64.02 (3)
Se4—Mo1—Se1ⁱⁱ	90.580 (17)	Mo1ⁱⁱ—Se4—Mo1	64.02 (3)
Se1ⁱ—Mo1—Se1ⁱⁱ	88.377 (17)	Mo1ⁱⁱⁱ—Se4—Hoⁱⁱⁱ	148.11 (3)
Se1—Mo1—Se1ⁱⁱ	174.56 (3)	Mo1ⁱⁱ—Se4—Hoⁱⁱⁱ	95.32 (2)
Se4—Mo1—Se2	90.72 (2)	Mo1—Se4—Hoⁱⁱⁱ	130.75 (3)
Se1ⁱ—Mo1—Se2	92.86 (2)	Mo1ⁱⁱⁱ—Se4—Hoⁱⁱ	130.75 (3)
Se1—Mo1—Se2	86.74 (2)	Mo1ⁱⁱ—Se4—Hoⁱⁱ	148.11 (3)
Se1ⁱⁱ—Mo1—Se2	98.27 (2)	Mo1—Se4—Hoⁱⁱ	95.32 (2)
Se4—Mo1—Mo1ⁱⁱⁱ	57.990 (13)	Hoⁱⁱⁱ—Se4—Hoⁱⁱ	79.77 (4)
Se1ⁱ—Mo1—Mo1ⁱⁱⁱ	119.638 (17)	Mo1ⁱⁱⁱ—Se4—Ho	95.32 (2)
Se1—Mo1—Mo1ⁱⁱⁱ	59.39 (2)	Mo1ⁱⁱ—Se4—Ho	130.75 (3)
Se1ⁱⁱ—Mo1—Mo1ⁱⁱⁱ	117.90 (2)	Mo1—Se4—Ho	148.11 (3)
Se2—Mo1—Mo1ⁱⁱⁱ	130.04 (2)	Hoⁱⁱⁱ—Se4—Ho	79.77 (4)
Se4—Mo1—Mo1ⁱⁱ	57.990 (13)	Hoⁱⁱ—Se4—Ho	79.77 (4)
Se1ⁱ—Mo1—Mo1ⁱⁱ	118.656 (17)	Mo2^vii—Se5—Mo2	63.11 (2)
Se1—Mo1—Mo1ⁱⁱ	119.34 (2)	Mo2^vii—Se5—Mo2^v	63.11 (2)
Se1ⁱⁱ—Mo1—Mo1ⁱⁱ	57.95 (2)	Mo2—Se5—Mo2^v	63.11 (2)
Se2—Mo1—Mo1ⁱⁱ	137.221 (19)	Mo2^vii—Se5—In	142.822 (15)
Mo1ⁱⁱⁱ—Mo1—Mo1ⁱⁱ	60.0	Mo2—Se5—In	142.822 (15)
Se4—Mo1—Mo1^iv	118.092 (16)	Mo2^v—Se5—In	142.822 (15)
Se1ⁱ—Mo1—Mo1^iv	59.53 (2)	Se5—In—Se2^vi	93.80 (2)
Se1—Mo1—Mo1^iv	57.673 (15)	Se5—In—Se2^xiv	93.80 (2)
Se1ⁱⁱ—Mo1—Mo1^iv	116.97 (2)	Se2^vi—In—Se2^xiv	119.564 (5)
Se2—Mo1—Mo1^iv	132.37 (2)	Se5—In—Se2ⁱ	93.80 (2)
Mo1ⁱⁱⁱ—Mo1—Mo1^iv	60.125 (11)	Se2^vi—In—Se2ⁱ	119.564 (5)
Mo1ⁱⁱ—Mo1—Mo1^iv	90.0	Se2^xiv—In—Se2ⁱ	119.564 (5)
Se4—Mo1—Mo1ⁱ	118.092 (16)	Se5—In—Se1^vi	64.840 (19)
Se1ⁱ—Mo1—Mo1ⁱ	58.53 (2)	Se2^vi—In—Se1^vi	65.026 (13)
Se1—Mo1—Mo1ⁱ	117.42 (2)	Se2^xiv—In—Se1^vi	64.880 (14)
Se1ⁱⁱ—Mo1—Mo1ⁱ	57.236 (15)	Se2ⁱ—In—Se1^vi	158.64 (4)
Se2—Mo1—Mo1ⁱ	139.85 (2)	Se5—In—Se1ⁱ	64.840 (19)
Mo1ⁱⁱⁱ—Mo1—Mo1ⁱ	90.0	Se2^vi—In—Se1ⁱ	64.880 (14)
Mo1ⁱⁱ—Mo1—Mo1ⁱ	60.125 (11)	Se2^xiv—In—Se1ⁱ	158.64 (4)
Mo1^iv—Mo1—Mo1ⁱ	59.75 (2)	Se2ⁱ—In—Se1ⁱ	65.026 (13)
Se4—Mo1—In^vi	99.688 (19)	Se1^vi—In—Se1ⁱ	103.23 (2)
Se1ⁱ—Mo1—In^vi	83.419 (19)	Se5—In—Se1^xiv	64.840 (19)
Se1—Mo1—In^vi	47.705 (14)	Se2^vi—In—Se1^xiv	158.64 (4)
Se1ⁱⁱ—Mo1—In^vi	136.719 (18)	Se2^xiv—In—Se1^xiv	65.026 (13)
Se2—Mo1—In^vi	40.278 (15)	Se2ⁱ—In—Se1^xiv	64.880 (14)
Mo1ⁱⁱⁱ—Mo1—In^vi	102.863 (18)	Se1^vi—In—Se1^xiv	103.23 (2)
Mo1ⁱⁱ—Mo1—In^vi	156.315 (16)	Se1ⁱ—In—Se1^xiv	103.23 (2)
Mo1^iv—Mo1—In^vi	94.923 (17)	Se5—In—Se3^iv	123.487 (14)
Mo1ⁱ—Mo1—In^vi	140.93 (2)	Se2^vi—In—Se3^iv	55.274 (16)
Se5—Mo2—Se2	92.189 (17)	Se2^xiv—In—Se3^iv	141.57 (4)
Se5—Mo2—Se2^vii	91.227 (17)	Se2ⁱ—In—Se3^iv	71.125 (17)
Se2—Mo2—Se2^vii	174.78 (3)	Se1^vi—In—Se3^iv	119.728 (14)
Se5—Mo2—Mo2^vii	58.444 (12)	Se1ⁱ—In—Se3^iv	59.375 (11)
Se2—Mo2—Mo2^vii	120.20 (2)	Se1^xiv—In—Se3^iv	135.828 (14)
Se2^vii—Mo2—Mo2^vii	58.72 (2)	Se5—In—Se3^xv	123.487 (14)
Se5—Mo2—Mo2^v	58.444 (12)	Se2^vi—In—Se3^xv	71.125 (17)
Se2—Mo2—Mo2^v	60.26 (2)	Se2^xiv—In—Se3^xv	55.274 (16)
Se2^vii—Mo2—Mo2^v	118.66 (2)	Se2ⁱ—In—Se3^xv	141.57 (4)
Mo2^vii—Mo2—Mo2^v	60.0	Se1^vi—In—Se3^xv	59.375 (11)
Se5—Mo2—Se1^viii	90.55 (2)	Se1ⁱ—In—Se3^xv	135.828 (14)
Se2—Mo2—Se1^viii	86.15 (2)	Se1^xiv—In—Se3^xv	119.728 (14)
Se2^vii—Mo2—Se1^viii	97.77 (2)	Se3^iv—In—Se3^xv	92.49 (2)
Mo2^vii—Mo2—Se1^viii	137.526 (19)	Se5—In—Se3^xiii	123.487 (14)
Mo2^v—Mo2—Se1^viii	130.30 (2)	Se2^vi—In—Se3^xiii	141.57 (4)
Se5—Mo2—Se3^vii	175.06 (3)	Se2^xiv—In—Se3^xiii	71.125 (17)
Se2—Mo2—Se3^vii	85.50 (2)	Se2ⁱ—In—Se3^xiii	55.274 (15)
Se2^vii—Mo2—Se3^vii	90.79 (2)	Se1^vi—In—Se3^xiii	135.829 (14)
Mo2^vii—Mo2—Se3^vii	119.183 (18)	Se1ⁱ—In—Se3^xiii	119.727 (14)
Mo2^v—Mo2—Se3^vii	116.678 (19)	Se1^xiv—In—Se3^xiii	59.375 (11)
Se1^viii—Mo2—Se3^vii	93.64 (2)	Se3^iv—In—Se3^xiii	92.49 (2)
Se5—Mo2—Mo3^vii	120.52 (2)	Se3^xv—In—Se3^xiii	92.49 (2)
Se2—Mo2—Mo3^vii	116.98 (2)	Se5—In—Mo2^xiv	91.190 (16)
Se2^vii—Mo2—Mo3^vii	57.814 (17)	Se2^vi—In—Mo2^xiv	85.861 (11)
Mo2^vii—Mo2—Mo3^vii	62.086 (16)	Se2^xiv—In—Mo2^xiv	34.134 (11)
Mo2^v—Mo2—Mo3^vii	91.285 (15)	Se2ⁱ—In—Mo2^xiv	153.608 (13)
Se1^viii—Mo2—Mo3^vii	138.15 (2)	Se1^vi—In—Mo2^xiv	36.333 (10)
Se3^vii—Mo2—Mo3^vii	57.21 (2)	Se1ⁱ—In—Mo2^xiv	139.26 (2)
Se5—Mo2—Mo3	118.65 (2)	Se1^xiv—In—Mo2^xiv	94.266 (12)
Se2—Mo2—Mo3	57.630 (18)	Se3^iv—In—Mo2^xiv	126.11 (2)
Se2^vii—Mo2—Mo3	117.19 (2)	Se3^xv—In—Mo2^xiv	35.650 (9)
Mo2^vii—Mo2—Mo3	90.204 (15)	Se3^xiii—In—Mo2^xiv	100.888 (15)
Mo2^v—Mo2—Mo3	60.216 (15)	Se5—In—Mo2^vi	91.190 (16)
Se1^viii—Mo2—Mo3	131.91 (2)	Se2^vi—In—Mo2^vi	34.134 (11)
Se3^vii—Mo2—Mo3	56.463 (19)	Se2^xiv—In—Mo2^vi	153.608 (13)
Mo3^vii—Mo2—Mo3	59.43 (2)	Se2ⁱ—In—Mo2^vi	85.861 (11)
Se5—Mo2—In^vi	113.462 (19)	Se1^vi—In—Mo2^vi	94.266 (12)
Se2—Mo2—In^vi	43.269 (13)	Se1ⁱ—In—Mo2^vi	36.333 (10)
Se2^vii—Mo2—In^vi	137.970 (17)	Se1^xiv—In—Mo2^vi	139.26 (2)
Mo2^vii—Mo2—In^vi	163.303 (19)	Se3^iv—In—Mo2^vi	35.649 (9)
Mo2^v—Mo2—In^vi	103.341 (19)	Se3^xv—In—Mo2^vi	100.888 (15)
Se1^viii—Mo2—In^vi	51.183 (17)	Se3^xiii—In—Mo2^vi	126.11 (2)
Se3^vii—Mo2—In^vi	67.56 (2)	Mo2^xiv—In—Mo2^vi	119.957 (1)
Mo3^vii—Mo2—In^vi	123.41 (2)	Se5—In—Mo2ⁱ	91.190 (16)
Mo3—Mo2—In^vi	81.293 (19)	Se2^vi—In—Mo2ⁱ	153.608 (13)
Se3^vii—Mo3—Se2	87.80 (2)	Se2^xiv—In—Mo2ⁱ	85.861 (11)
Se3^vii—Mo3—Se2^ix	87.80 (2)	Se2ⁱ—In—Mo2ⁱ	34.134 (11)
Se2—Mo3—Se2^ix	112.27 (3)	Se1^vi—In—Mo2ⁱ	139.26 (2)
Se3^vii—Mo3—Se3	176.59 (3)	Se1ⁱ—In—Mo2ⁱ	94.266 (12)
Se2—Mo3—Se3	94.09 (2)	Se1^xiv—In—Mo2ⁱ	36.333 (10)
Se2^ix—Mo3—Se3	94.09 (2)	Se3^iv—In—Mo2ⁱ	100.888 (15)
Se3^vii—Mo3—Mo2^x	118.011 (16)	Se3^xv—In—Mo2ⁱ	126.11 (2)
Se2—Mo3—Mo2^x	150.76 (3)	Se3^xiii—In—Mo2ⁱ	35.650 (9)
Se2^ix—Mo3—Mo2^x	59.337 (15)	Mo2^xiv—In—Mo2ⁱ	119.957 (1)
Se3—Mo3—Mo2^x	60.904 (15)	Mo2^vi—In—Mo2ⁱ	119.957 (1)
Se3^vii—Mo3—Mo2^v	118.011 (16)	Se5—In—Ho^xvi	120.935 (16)
Se2—Mo3—Mo2^v	59.337 (15)	Se2^vi—In—Ho^xvi	37.513 (19)
Se2^ix—Mo3—Mo2^v	150.76 (3)	Se2^xiv—In—Ho^xvi	90.18 (2)
Se3—Mo3—Mo2^v	60.904 (15)	Se2ⁱ—In—Ho^xvi	133.45 (3)
Mo2^x—Mo3—Mo2^v	112.72 (3)	Se1^vi—In—Ho^xvi	64.173 (16)
Se3^vii—Mo3—Mo3^v	118.43 (3)	Se1ⁱ—In—Ho^xvi	100.582 (19)
Se2—Mo3—Mo3^v	120.47 (2)	Se1^xiv—In—Ho^xvi	155.19 (2)
Se2^ix—Mo3—Mo3^v	120.47 (2)	Se3^iv—In—Ho^xvi	64.13 (2)
Se3—Mo3—Mo3^v	58.17 (3)	Se3^xv—In—Ho^xvi	35.66 (2)
Mo2^x—Mo3—Mo3^v	61.188 (17)	Se3^xiii—In—Ho^xvi	113.45 (3)
Mo2^v—Mo3—Mo3^v	61.188 (17)	Mo2^xiv—In—Ho^xvi	62.630 (18)
Se3^vii—Mo3—Mo3^vii	58.43 (3)	Mo2^vi—In—Ho^xvi	65.238 (19)
Se2—Mo3—Mo3^vii	116.97 (2)	Mo2ⁱ—In—Ho^xvi	147.84 (3)
Se2^ix—Mo3—Mo3^vii	116.97 (2)	Se5—In—Ho^xvii	120.935 (16)
Se3—Mo3—Mo3^vii	118.17 (3)	Se2^vi—In—Ho^xvii	90.18 (2)
Mo2^x—Mo3—Mo3^vii	89.748 (15)	Se2^xiv—In—Ho^xvii	133.45 (3)
Mo2^v—Mo3—Mo3^vii	89.748 (15)	Se2ⁱ—In—Ho^xvii	37.513 (19)
Mo3^v—Mo3—Mo3^vii	60.0	Se1^vi—In—Ho^xvii	155.19 (2)
Se3^vii—Mo3—Mo2^ix	60.314 (14)	Se1ⁱ—In—Ho^xvii	64.172 (16)
Se2—Mo3—Mo2^ix	145.40 (3)	Se1^xiv—In—Ho^xvii	100.582 (19)
Se2^ix—Mo3—Mo2^ix	57.667 (15)	Se3^iv—In—Ho^xvii	35.66 (2)
Se3—Mo3—Mo2^ix	118.486 (16)	Se3^xv—In—Ho^xvii	113.45 (3)
Mo2^x—Mo3—Mo2^ix	57.698 (17)	Se3^xiii—In—Ho^xvii	64.13 (2)
Mo2^v—Mo3—Mo2^ix	145.81 (3)	Mo2^xiv—In—Ho^xvii	147.84 (3)
Mo3^v—Mo3—Mo2^ix	88.722 (14)	Mo2^vi—In—Ho^xvii	62.630 (18)
Mo3^vii—Mo3—Mo2^ix	59.383 (16)	Mo2ⁱ—In—Ho^xvii	65.238 (18)
Se3^vii—Mo3—Mo2	60.314 (14)	Ho^xvi—In—Ho^xvii	95.95 (2)
Se2—Mo3—Mo2	57.667 (15)	Se5—In—Ho^xviii	120.935 (16)
Se2^ix—Mo3—Mo2	145.40 (3)	Se2^vi—In—Ho^xviii	133.45 (3)
Se3—Mo3—Mo2	118.486 (16)	Se2^xiv—In—Ho^xviii	37.513 (19)
Mo2^x—Mo3—Mo2	145.81 (3)	Se2ⁱ—In—Ho^xviii	90.18 (2)
Mo2^v—Mo3—Mo2	57.698 (17)	Se1^vi—In—Ho^xviii	100.582 (19)
Mo3^v—Mo3—Mo2	88.722 (14)	Se1ⁱ—In—Ho^xviii	155.19 (2)
Mo3^vii—Mo3—Mo2	59.383 (16)	Se1^xiv—In—Ho^xviii	64.173 (16)
Mo2^ix—Mo3—Mo2	109.71 (3)	Se3^iv—In—Ho^xviii	113.45 (3)
Se3^vii—Mo3—Hoⁱⁱ	118.21 (4)	Se3^xv—In—Ho^xviii	64.13 (2)
Se2—Mo3—Hoⁱⁱ	61.851 (19)	Se3^xiii—In—Ho^xviii	35.66 (2)
Se2^ix—Mo3—Hoⁱⁱ	61.851 (19)	Mo2^xiv—In—Ho^xviii	65.238 (19)
Se3—Mo3—Hoⁱⁱ	65.19 (4)	Mo2^vi—In—Ho^xviii	147.84 (3)
Mo2^x—Mo3—Hoⁱⁱ	92.11 (2)	Mo2ⁱ—In—Ho^xviii	62.630 (18)
Mo2^v—Mo3—Hoⁱⁱ	92.11 (2)	Ho^xvi—In—Ho^xviii	95.95 (2)
Mo3^v—Mo3—Hoⁱⁱ	123.36 (4)	Ho^xvii—In—Ho^xviii	95.95 (2)
Mo3^vii—Mo3—Hoⁱⁱ	176.64 (4)	Se4^ix—Ho—Se4	84.46 (5)
Mo2^ix—Mo3—Hoⁱⁱ	119.517 (18)	Se4^ix—Ho—Se3ⁱⁱ	88.65 (4)
Mo2—Mo3—Hoⁱⁱ	119.517 (18)	Se4—Ho—Se3ⁱⁱ	88.65 (4)
Mo1^iv—Se1—Mo1	63.80 (2)	Se4^ix—Ho—Se2ⁱⁱⁱ	163.32 (6)
Mo1^iv—Se1—Mo1ⁱⁱⁱ	63.24 (2)	Se4—Ho—Se2ⁱⁱⁱ	86.49 (2)
Mo1—Se1—Mo1ⁱⁱⁱ	62.66 (2)	Se3ⁱⁱ—Ho—Se2ⁱⁱⁱ	105.14 (4)
Mo1^iv—Se1—Mo2^xi	131.54 (2)	Se4^ix—Ho—Se2^xix	86.49 (2)
Mo1—Se1—Mo2^xi	129.02 (2)	Se4—Ho—Se2^xix	163.32 (6)
Mo1ⁱⁱⁱ—Se1—Mo2^xi	82.00 (2)	Se3ⁱⁱ—Ho—Se2^xix	105.14 (4)
Mo1^iv—Se1—In^vi	134.69 (2)	Se2ⁱⁱⁱ—Ho—Se2^xix	98.60 (5)
Mo1—Se1—In^vi	99.386 (18)	Se4^ix—Ho—Mo3ⁱⁱⁱ	120.75 (4)
Mo1ⁱⁱⁱ—Se1—In^vi	148.54 (3)	Se4—Ho—Mo3ⁱⁱⁱ	120.75 (4)
Mo2^xi—Se1—In^vi	92.48 (2)	Se3ⁱⁱ—Ho—Mo3ⁱⁱⁱ	138.15 (6)
Mo3—Se2—Mo2	64.703 (19)	Se2ⁱⁱⁱ—Ho—Mo3ⁱⁱⁱ	53.61 (3)
Mo3—Se2—Mo2^v	62.848 (18)	Se2^xix—Ho—Mo3ⁱⁱⁱ	53.61 (3)
Mo2—Se2—Mo2^v	61.02 (2)	Se4^ix—Ho—Se3ⁱⁱⁱ	83.57 (4)
Mo3—Se2—Mo1	130.30 (3)	Se4—Ho—Se3ⁱⁱⁱ	83.57 (4)
Mo2—Se2—Mo1	127.66 (2)	Se3ⁱⁱ—Ho—Se3ⁱⁱⁱ	169.47 (6)
Mo2^v—Se2—Mo1	81.96 (2)	Se2ⁱⁱⁱ—Ho—Se3ⁱⁱⁱ	81.51 (3)
Mo3—Se2—Hoⁱⁱ	64.54 (3)	Se2^xix—Ho—Se3ⁱⁱⁱ	81.51 (3)
Mo2—Se2—Hoⁱⁱ	129.24 (3)	Mo3ⁱⁱⁱ—Ho—Se3ⁱⁱⁱ	52.38 (3)
Mo2^v—Se2—Hoⁱⁱ	95.61 (4)	Se4^ix—Ho—Hoⁱⁱⁱ	50.12 (2)
Mo1—Se2—Hoⁱⁱ	87.01 (3)	Se4—Ho—Hoⁱⁱⁱ	50.12 (2)
Mo3—Se2—In^vi	117.17 (3)	Se3ⁱⁱ—Ho—Hoⁱⁱⁱ	58.17 (5)
Mo2—Se2—In^vi	102.597 (19)	Se2ⁱⁱⁱ—Ho—Hoⁱⁱⁱ	130.20 (3)
Mo2^v—Se2—In^vi	162.70 (2)	Se2^xix—Ho—Hoⁱⁱⁱ	130.20 (3)
Mo1—Se2—In^vi	106.76 (2)	Mo3ⁱⁱⁱ—Ho—Hoⁱⁱⁱ	163.68 (7)
Hoⁱⁱ—Se2—In^vi	99.69 (4)	Se3ⁱⁱⁱ—Ho—Hoⁱⁱⁱ	111.30 (5)
Mo3^v—Se3—Mo3	63.41 (3)	Se4^ix—Ho—Hoⁱⁱ	50.12 (2)
Mo3^v—Se3—Mo2^x	63.224 (17)	Se4—Ho—Hoⁱⁱ	50.12 (2)
Mo3—Se3—Mo2^x	61.881 (17)	Se3ⁱⁱ—Ho—Hoⁱⁱ	118.17 (5)
Mo3^v—Se3—Mo2^v	63.224 (17)	Se2ⁱⁱⁱ—Ho—Hoⁱⁱ	113.79 (5)
Mo3—Se3—Mo2^v	61.881 (17)	Se2^xix—Ho—Hoⁱⁱ	113.79 (5)
Mo2^x—Se3—Mo2^v	114.35 (3)	Mo3ⁱⁱⁱ—Ho—Hoⁱⁱ	103.68 (7)
Mo3^v—Se3—Hoⁱⁱⁱ	163.64 (5)	Se3ⁱⁱⁱ—Ho—Hoⁱⁱ	51.30 (5)
Mo3—Se3—Hoⁱⁱⁱ	132.95 (5)	Hoⁱⁱⁱ—Ho—Hoⁱⁱ	60.0
Mo2^x—Se3—Hoⁱⁱⁱ	121.145 (17)	Se4^ix—Ho—In^xvii	153.40 (5)
Mo2^v—Se3—Hoⁱⁱⁱ	121.145 (17)	Se4—Ho—In^xvii	101.72 (3)
Mo3^v—Se3—Hoⁱⁱ	125.83 (4)	Se3ⁱⁱ—Ho—In^xvii	65.90 (3)
Mo3—Se3—Hoⁱⁱ	62.42 (3)	Se2ⁱⁱⁱ—Ho—In^xvii	42.80 (2)
Mo2^x—Se3—Hoⁱⁱ	91.10 (2)	Se2^xix—Ho—In^xvii	92.62 (4)
Mo2^v—Se3—Hoⁱⁱ	91.10 (2)	Mo3ⁱⁱⁱ—Ho—In^xvii	78.51 (3)
Hoⁱⁱⁱ—Se3—Hoⁱⁱ	70.53 (6)	Se3ⁱⁱⁱ—Ho—In^xvii	122.64 (3)
Mo3^v—Se3—In^xii	87.95 (2)	Hoⁱⁱⁱ—Ho—In^xvii	115.19 (5)
Mo3—Se3—In^xii	136.807 (19)	Hoⁱⁱ—Ho—In^xvii	149.064 (16)
Mo2^x—Se3—In^xii	76.790 (18)	Se4^ix—Ho—In^xx	101.72 (3)
Mo2^v—Se3—In^xii	134.33 (3)	Se4—Ho—In^xx	153.40 (5)
Hoⁱⁱⁱ—Se3—In^xii	78.44 (3)	Se3ⁱⁱ—Ho—In^xx	65.90 (3)
Hoⁱⁱ—Se3—In^xii	134.15 (2)	Se2ⁱⁱⁱ—Ho—In^xx	92.62 (4)
Mo3^v—Se3—In^xiii	87.95 (2)	Se2^xix—Ho—In^xx	42.80 (2)
Mo3—Se3—In^xiii	136.807 (19)	Mo3ⁱⁱⁱ—Ho—In^xx	78.51 (3)
Mo2^x—Se3—In^xiii	134.33 (3)	Se3ⁱⁱⁱ—Ho—In^xx	122.64 (3)
Mo2^v—Se3—In^xiii	76.790 (18)	Hoⁱⁱⁱ—Ho—In^xx	115.19 (5)
Hoⁱⁱⁱ—Se3—In^xiii	78.44 (3)	Hoⁱⁱ—Ho—In^xx	149.064 (16)
Hoⁱⁱ—Se3—In^xiii	134.15 (2)	In^xvii—Ho—In^xx	61.87 (3)

Symmetry codes: (i) x−y, x, −z+1; (ii) −y, x−y, z; (iii) −x+y, −x, z; (iv) y, −x+y, −z+1; (v) −x+y+1, −x+1, z; (vi) −x+1, −y, −z+1; (vii) −y+1, x−y, z; (viii) −x+y+1, −x, z; (ix) x, y, −z+3/2; (x) −x+y+1, −x+1, −z+3/2; (xi) −y, x−y−1, z; (xii) −x+1, −y+1, z+1/2; (xiii) −x+1, −y+1, −z+1; (xiv) y+1, −x+y+1, −z+1; (xv) x−y+1, x, −z+1; (xvi) y+1, −x+y, −z+1; (xvii) −x, −y, −z+1; (xviii) x−y+1, x+1, −z+1; (xix) −x+y, −x, −z+3/2; (xx) −x, −y, z+1/2.

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