A monoclinic modification of K₃[InCl₆]

The crystal structure of monoclinic tripotassium indium(III) hexa­chloride, K₃[InCl₆], obtained by the solvent evaporation method, has been determined from single-crystal X-ray diffraction data. The crystal structure is characterized by isolated [InCl₆] octa­hedra located in the centre of the cell and at the centre of each of the edges of the cell, linked with K⁺ cations to form a three-dimensional structure.

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](n-Cl)= 0.001 Å
• R factor = 0.031
• wR factor = 0.093
• Data-to-parameter ratio = 27.1

checkCIF/PLATON results

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Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2004); software used to prepare material for publication: SHELXL97.

tripotassium indium(III) hexachloride

Crystal data

K3(InCl6)	F(000) = 832
Mr = 444.82	Dx = 2.671 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 6419 reflections
a = 12.188 (3) Å	θ = 0.8–29.4°
b = 7.5530 (17) Å	µ = 4.65 mm^−1
c = 12.703 (3) Å	T = 295 K
β = 108.957 (4)°	Plate, colourless
V = 1106.0 (5) Å^3	0.50 × 0.28 × 0.09 mm
Z = 4

Data collection

Bruker SMART CCD area-detector diffractometer	2548 independent reflections
Radiation source: fine-focus sealed tube	2341 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.023
ω scans	θmax = 28.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −16→14
Tmin = 0.199, Tmax = 0.659	k = −8→9
6419 measured reflections	l = −15→13

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)] = 0.031	Secondary atom site location: difference Fourier map
wR(F^2) = 0.093	w = 1/[σ^2(Fo^2) + (0.0527P)^2 + 0.923P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max < 0.001
2548 reflections	Δρmax = 0.92 e Å^−3
94 parameters	Δρmin = −1.20 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.

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

	x	y	z	Uiso*/Ueq
In1	0.5000	0.5000	0.5000	0.01989 (12)
In2	0.0000	0.0000	0.5000	0.01933 (12)
Cl1	0.88511 (8)	0.01054 (13)	0.62721 (9)	0.0371 (2)
Cl2	0.50062 (7)	0.36426 (11)	0.68833 (7)	0.02727 (19)
Cl3	0.65124 (8)	0.70864 (12)	0.60687 (8)	0.0352 (2)
Cl4	0.86419 (8)	0.18013 (12)	0.35054 (9)	0.0354 (2)
Cl5	0.64942 (8)	0.29471 (13)	0.49465 (9)	0.0386 (2)
Cl6	0.89804 (8)	0.71973 (11)	0.40618 (8)	0.0346 (2)
K1	0.09970 (10)	0.02240 (18)	0.86224 (11)	0.0652 (4)
K2	0.67871 (6)	0.56893 (10)	0.88739 (7)	0.0330 (2)
K3	0.31428 (7)	0.56143 (11)	0.76239 (8)	0.0365 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
In1	0.01625 (18)	0.02042 (19)	0.0229 (2)	−0.00018 (9)	0.00617 (15)	−0.00193 (11)
In2	0.01636 (18)	0.02142 (19)	0.0205 (2)	0.00275 (9)	0.00645 (14)	0.00221 (11)
Cl1	0.0252 (5)	0.0608 (7)	0.0297 (5)	0.0045 (3)	0.0152 (4)	0.0011 (4)
Cl2	0.0270 (4)	0.0295 (4)	0.0258 (4)	−0.0023 (3)	0.0092 (3)	0.0020 (3)
Cl3	0.0310 (4)	0.0360 (5)	0.0368 (5)	−0.0139 (3)	0.0087 (4)	−0.0096 (4)
Cl4	0.0260 (4)	0.0392 (5)	0.0383 (5)	0.0112 (3)	0.0067 (4)	0.0164 (4)
Cl5	0.0333 (5)	0.0411 (5)	0.0417 (6)	0.0170 (4)	0.0125 (4)	−0.0025 (4)
Cl6	0.0316 (4)	0.0271 (4)	0.0416 (6)	−0.0015 (3)	0.0071 (4)	−0.0076 (4)
K1	0.0424 (6)	0.1034 (10)	0.0516 (7)	−0.0158 (5)	0.0177 (6)	−0.0344 (6)
K2	0.0239 (4)	0.0300 (4)	0.0424 (5)	0.0016 (3)	0.0069 (3)	−0.0017 (3)
K3	0.0304 (4)	0.0291 (4)	0.0517 (6)	0.0078 (3)	0.0155 (4)	0.0089 (4)

Geometric parameters (Å, º)

In1—Cl5	2.4096 (9)	Cl6—K3^i	3.4916 (13)
In1—Cl5^i	2.4096 (9)	K1—Cl3^v	3.2518 (16)
In1—Cl3	2.4695 (9)	K1—Cl6^xiii	3.2540 (16)
In1—Cl3^i	2.4695 (9)	K1—Cl4^iii	3.2577 (16)
In1—Cl2	2.6005 (10)	K1—Cl1^ii	3.2694 (17)
In1—Cl2^i	2.6005 (10)	K1—Cl6^v	3.2898 (16)
In2—Cl1^ii	2.4595 (10)	K1—Cl5^v	3.4642 (18)
In2—Cl1^iii	2.4595 (10)	K1—Cl4^xiii	3.6101 (17)
In2—Cl4^iii	2.4806 (9)	K1—Cl1^ix	3.6918 (19)
In2—Cl4^ii	2.4806 (9)	K1—K2^xiv	4.6213 (15)
In2—Cl6^i	2.5463 (9)	K1—K3^xv	4.7673 (16)
In2—Cl6^iv	2.5463 (10)	K1—K3^xvi	4.7815 (18)
In2—K2^v	3.7433 (11)	K1—K2^v	4.7998 (17)
In2—K2^vi	3.7433 (11)	K2—Cl2^ix	3.0516 (12)
Cl1—In2^vii	2.4595 (10)	K2—Cl6^xvii	3.0556 (13)
Cl1—K3^v	3.1991 (13)	K2—Cl4^xviii	3.0912 (13)
Cl1—K1^vii	3.2694 (17)	K2—Cl5^xviii	3.1374 (13)
Cl1—K2^viii	3.3151 (14)	K2—Cl2	3.1511 (12)
Cl1—K1^v	3.6918 (19)	K2—Cl1^xviii	3.3151 (15)
Cl2—K2^v	3.0516 (12)	K2—Cl3^xvii	3.3636 (14)
Cl2—K3^v	3.1299 (13)	K2—Cl3	3.6261 (15)
Cl3—K3^ix	3.0954 (13)	K2—In2^ix	3.7433 (11)
Cl3—K1^ix	3.2518 (16)	K2—K3^ix	4.1917 (14)
Cl3—K2^x	3.3636 (14)	K2—K3	4.2038 (14)
Cl4—In2^vii	2.4806 (9)	K2—K3^v	4.2926 (14)
Cl4—K3^i	2.9279 (12)	K3—Cl4^i	2.9279 (12)
Cl4—K2^viii	3.0912 (13)	K3—Cl3^v	3.0954 (13)
Cl4—K1^iii	3.2577 (16)	K3—Cl2	3.1063 (12)
Cl4—K1^xi	3.6101 (17)	K3—Cl2^ix	3.1299 (13)
Cl5—K2^viii	3.1374 (13)	K3—Cl1^ix	3.1991 (13)
Cl5—K3^v	3.4552 (15)	K3—Cl5^ix	3.4552 (15)
Cl5—K1^ix	3.4642 (18)	K3—Cl6^i	3.4916 (13)
Cl5—K3^i	3.6022 (16)	K3—Cl5^i	3.6022 (16)
Cl6—In2^xii	2.5463 (9)	K3—K2^v	4.1917 (14)
Cl6—K2^x	3.0556 (13)	K3—K2^ix	4.2926 (14)
Cl6—K1^xi	3.2540 (16)	K3—K2^xiv	4.5300 (16)
Cl6—K1^ix	3.2898 (16)
Cl5—In1—Cl5^i	180.00 (5)	Cl1^ii—K1—K3^xvi	41.77 (2)
Cl5—In1—Cl3	89.43 (4)	Cl6^v—K1—K3^xvi	88.25 (3)
Cl5^i—In1—Cl3	90.57 (4)	Cl5^v—K1—K3^xvi	149.43 (4)
Cl5—In1—Cl3^i	90.57 (4)	Cl4^xiii—K1—K3^xvi	37.68 (2)
Cl5^i—In1—Cl3^i	89.43 (4)	Cl1^ix—K1—K3^xvi	89.17 (3)
Cl3—In1—Cl3^i	180.00 (3)	K2^xiv—K1—K3^xvi	120.31 (3)
Cl5—In1—Cl2	89.77 (3)	K3^xv—K1—K3^xvi	124.62 (3)
Cl5^i—In1—Cl2	90.23 (3)	Cl3^v—K1—K2^v	49.04 (3)
Cl3—In1—Cl2	88.13 (3)	Cl6^xiii—K1—K2^v	140.62 (4)
Cl3^i—In1—Cl2	91.87 (3)	Cl4^iii—K1—K2^v	39.60 (2)
Cl5—In1—Cl2^i	90.23 (3)	Cl1^ii—K1—K2^v	81.58 (4)
Cl5^i—In1—Cl2^i	89.77 (3)	Cl6^v—K1—K2^v	135.60 (4)
Cl3—In1—Cl2^i	91.87 (3)	Cl5^v—K1—K2^v	78.04 (3)
Cl3^i—In1—Cl2^i	88.13 (3)	Cl4^xiii—K1—K2^v	122.53 (4)
Cl2—In1—Cl2^i	180.0	Cl1^ix—K1—K2^v	85.32 (3)
Cl1^ii—In2—Cl1^iii	180.0	K2^xiv—K1—K2^v	94.43 (3)
Cl1^ii—In2—Cl4^iii	84.01 (4)	K3^xv—K1—K2^v	53.32 (2)
Cl1^iii—In2—Cl4^iii	95.99 (4)	K3^xvi—K1—K2^v	122.45 (3)
Cl1^ii—In2—Cl4^ii	95.99 (4)	Cl2^ix—K2—Cl6^xvii	99.30 (4)
Cl1^iii—In2—Cl4^ii	84.01 (4)	Cl2^ix—K2—Cl4^xviii	151.79 (4)
Cl4^iii—In2—Cl4^ii	180.0	Cl6^xvii—K2—Cl4^xviii	70.46 (3)
Cl1^ii—In2—Cl6^i	87.77 (3)	Cl2^ix—K2—Cl5^xviii	127.29 (4)
Cl1^iii—In2—Cl6^i	92.23 (3)	Cl6^xvii—K2—Cl5^xviii	130.05 (4)
Cl4^iii—In2—Cl6^i	89.71 (3)	Cl4^xviii—K2—Cl5^xviii	74.04 (3)
Cl4^ii—In2—Cl6^i	90.29 (3)	Cl2^ix—K2—Cl2	82.50 (3)
Cl1^ii—In2—Cl6^iv	92.23 (3)	Cl6^xvii—K2—Cl2	132.54 (4)
Cl1^iii—In2—Cl6^iv	87.77 (3)	Cl4^xviii—K2—Cl2	85.81 (3)
Cl4^iii—In2—Cl6^iv	90.29 (4)	Cl5^xviii—K2—Cl2	76.89 (3)
Cl4^ii—In2—Cl6^iv	89.71 (4)	Cl2^ix—K2—Cl1^xviii	132.37 (4)
Cl6^i—In2—Cl6^iv	180.0	Cl6^xvii—K2—Cl1^xviii	68.86 (3)
Cl1^ii—In2—K2^v	119.52 (3)	Cl4^xviii—K2—Cl1^xviii	69.82 (3)
Cl1^iii—In2—K2^v	60.48 (3)	Cl5^xviii—K2—Cl1^xviii	66.54 (3)
Cl4^iii—In2—K2^v	55.16 (3)	Cl2—K2—Cl1^xviii	140.16 (4)
Cl4^ii—In2—K2^v	124.84 (3)	Cl2^ix—K2—Cl3^xvii	69.03 (3)
Cl6^i—In2—K2^v	54.17 (2)	Cl6^xvii—K2—Cl3^xvii	89.68 (3)
Cl6^iv—In2—K2^v	125.83 (2)	Cl4^xviii—K2—Cl3^xvii	134.75 (4)
Cl1^ii—In2—K2^vi	60.48 (3)	Cl5^xviii—K2—Cl3^xvii	91.22 (4)
Cl1^iii—In2—K2^vi	119.52 (3)	Cl2—K2—Cl3^xvii	133.00 (3)
Cl4^iii—In2—K2^vi	124.84 (3)	Cl1^xviii—K2—Cl3^xvii	65.10 (3)
Cl4^ii—In2—K2^vi	55.16 (3)	Cl2^ix—K2—Cl3	69.48 (3)
Cl6^i—In2—K2^vi	125.83 (2)	Cl6^xvii—K2—Cl3	73.97 (3)
Cl6^iv—In2—K2^vi	54.17 (2)	Cl4^xviii—K2—Cl3	82.35 (3)
K2^v—In2—K2^vi	180.0	Cl5^xviii—K2—Cl3	133.97 (4)
In2^vii—Cl1—K3^v	165.39 (5)	Cl2—K2—Cl3	62.26 (3)
In2^vii—Cl1—K1^vii	98.25 (4)	Cl1^xviii—K2—Cl3	139.11 (3)
K3^v—Cl1—K1^vii	95.32 (4)	Cl3^xvii—K2—Cl3	131.83 (3)
In2^vii—Cl1—K2^viii	79.30 (4)	Cl2^ix—K2—In2^ix	140.84 (3)
K3^v—Cl1—K2^viii	88.10 (4)	Cl6^xvii—K2—In2^ix	42.50 (2)
K1^vii—Cl1—K2^viii	170.84 (4)	Cl4^xviii—K2—In2^ix	41.19 (2)
In2^vii—Cl1—K1^v	87.65 (3)	Cl5^xviii—K2—In2^ix	87.98 (3)
K3^v—Cl1—K1^v	98.07 (3)	Cl2—K2—In2^ix	126.93 (3)
K1^vii—Cl1—K1^v	88.76 (3)	Cl1^xviii—K2—In2^ix	40.212 (19)
K2^viii—Cl1—K1^v	82.34 (3)	Cl3^xvii—K2—In2^ix	97.25 (3)
In1—Cl2—K2^v	102.15 (3)	Cl3—K2—In2^ix	99.62 (3)
In1—Cl2—K3	107.80 (3)	Cl2^ix—K2—K3^ix	47.65 (2)
K2^v—Cl2—K3	85.79 (3)	Cl6^xvii—K2—K3^ix	54.94 (2)
In1—Cl2—K3^v	104.99 (3)	Cl4^xviii—K2—K3^ix	110.34 (3)
K2^v—Cl2—K3^v	85.69 (3)	Cl5^xviii—K2—K3^ix	174.85 (3)
K3—Cl2—K3^v	147.16 (3)	Cl2—K2—K3^ix	100.45 (3)
In1—Cl2—K2	109.89 (3)	Cl1^xviii—K2—K3^ix	117.16 (3)
K2^v—Cl2—K2	147.96 (3)	Cl3^xvii—K2—K3^ix	87.43 (3)
K3—Cl2—K2	84.41 (3)	Cl3—K2—K3^ix	45.95 (2)
K3^v—Cl2—K2	86.22 (3)	In2^ix—K2—K3^ix	97.11 (2)
In1—Cl3—K3^ix	142.31 (4)	Cl2^ix—K2—K3	47.94 (2)
In1—Cl3—K1^ix	106.93 (4)	Cl6^xvii—K2—K3	145.77 (3)
K3^ix—Cl3—K1^ix	110.42 (4)	Cl4^xviii—K2—K3	132.03 (3)
In1—Cl3—K2^x	96.93 (4)	Cl5^xviii—K2—K3	84.08 (3)
K3^ix—Cl3—K2^x	88.97 (4)	Cl2—K2—K3	47.34 (2)
K1^ix—Cl3—K2^x	88.61 (3)	Cl1^xviii—K2—K3	137.55 (3)
In1—Cl3—K2	99.71 (3)	Cl3^xvii—K2—K3	86.69 (3)
K3^ix—Cl3—K2	76.71 (3)	Cl3—K2—K3	83.33 (3)
K1^ix—Cl3—K2	88.34 (3)	In2^ix—K2—K3	171.22 (2)
K2^x—Cl3—K2	163.26 (3)	K3^ix—K2—K3	90.88 (2)
In2^vii—Cl4—K3^i	160.99 (5)	Cl2^ix—K2—K3^v	128.93 (3)
In2^vii—Cl4—K2^viii	83.65 (3)	Cl6^xvii—K2—K3^v	110.99 (3)
K3^i—Cl4—K2^viii	90.94 (4)	Cl4^xviii—K2—K3^v	43.00 (2)
In2^vii—Cl4—K1^iii	98.11 (4)	Cl5^xviii—K2—K3^v	55.40 (3)
K3^i—Cl4—K1^iii	100.70 (5)	Cl2—K2—K3^v	46.68 (2)
K2^viii—Cl4—K1^iii	98.19 (4)	Cl1^xviii—K2—K3^v	97.31 (3)
In2^vii—Cl4—K1^xi	89.19 (3)	Cl3^xvii—K2—K3^v	146.62 (3)
K3^i—Cl4—K1^xi	93.41 (4)	Cl3—K2—K3^v	80.39 (3)
K2^viii—Cl4—K1^xi	169.52 (4)	In2^ix—K2—K3^v	82.889 (18)
K1^iii—Cl4—K1^xi	90.37 (3)	K3^ix—K2—K3^v	125.80 (4)
In1—Cl5—K2^viii	140.29 (4)	K3—K2—K3^v	89.50 (2)
In1—Cl5—K3^v	100.46 (4)	Cl4^i—K3—Cl3^v	141.87 (4)
K2^viii—Cl5—K3^v	86.67 (4)	Cl4^i—K3—Cl2	132.15 (4)
In1—Cl5—K1^ix	102.25 (4)	Cl3^v—K3—Cl2	76.39 (3)
K2^viii—Cl5—K1^ix	117.19 (4)	Cl4^i—K3—Cl2^ix	89.04 (4)
K3^v—Cl5—K1^ix	87.10 (3)	Cl3^v—K3—Cl2^ix	123.94 (4)
In1—Cl5—K3^i	98.51 (3)	Cl2—K3—Cl2^ix	81.98 (3)
K2^viii—Cl5—K3^i	78.79 (3)	Cl4^i—K3—Cl1^ix	75.26 (4)
K3^v—Cl5—K3^i	161.03 (3)	Cl3^v—K3—Cl1^ix	69.60 (3)
K1^ix—Cl5—K3^i	88.77 (4)	Cl2—K3—Cl1^ix	144.04 (4)
In2^xii—Cl6—K2^x	83.33 (3)	Cl2^ix—K3—Cl1^ix	126.94 (4)
In2^xii—Cl6—K1^xi	105.46 (4)	Cl4^i—K3—Cl5^ix	87.53 (4)
K2^x—Cl6—K1^xi	166.07 (5)	Cl3^v—K3—Cl5^ix	90.23 (4)
In2^xii—Cl6—K1^ix	95.57 (4)	Cl2—K3—Cl5^ix	128.39 (4)
K2^x—Cl6—K1^ix	93.41 (4)	Cl2^ix—K3—Cl5^ix	64.78 (3)
K1^xi—Cl6—K1^ix	96.40 (4)	Cl1^ix—K3—Cl5^ix	64.20 (3)
In2^xii—Cl6—K3^i	160.81 (4)	Cl4^i—K3—Cl6^i	79.65 (4)
K2^x—Cl6—K3^i	79.31 (3)	Cl3^v—K3—Cl6^i	75.52 (3)
K1^xi—Cl6—K3^i	90.21 (4)	Cl2—K3—Cl6^i	89.53 (3)
K1^ix—Cl6—K3^i	93.56 (4)	Cl2^ix—K3—Cl6^i	155.45 (4)
Cl3^v—K1—Cl6^xiii	161.80 (6)	Cl1^ix—K3—Cl6^i	71.25 (3)
Cl3^v—K1—Cl4^iii	86.03 (4)	Cl5^ix—K3—Cl6^i	135.42 (3)
Cl6^xiii—K1—Cl4^iii	101.05 (4)	Cl4^i—K3—Cl5^i	69.22 (3)
Cl3^v—K1—Cl1^ii	124.10 (5)	Cl3^v—K3—Cl5^i	135.30 (4)
Cl6^xiii—K1—Cl1^ii	73.53 (4)	Cl2—K3—Cl5^i	63.44 (3)
Cl4^iii—K1—Cl1^ii	60.86 (3)	Cl2^ix—K3—Cl5^i	70.61 (3)
Cl3^v—K1—Cl6^v	87.70 (4)	Cl1^ix—K3—Cl5^i	140.18 (4)
Cl6^xiii—K1—Cl6^v	83.60 (4)	Cl5^ix—K3—Cl5^i	129.64 (3)
Cl4^iii—K1—Cl6^v	172.09 (5)	Cl6^i—K3—Cl5^i	84.97 (3)
Cl1^ii—K1—Cl6^v	126.93 (5)	Cl4^i—K3—K2^v	119.39 (4)
Cl3^v—K1—Cl5^v	61.39 (3)	Cl3^v—K3—K2^v	57.34 (3)
Cl6^xiii—K1—Cl5^v	102.60 (5)	Cl2—K3—K2^v	46.56 (2)
Cl4^iii—K1—Cl5^v	82.42 (4)	Cl2^ix—K3—K2^v	128.29 (3)
Cl1^ii—K1—Cl5^v	140.67 (5)	Cl1^ix—K3—K2^v	102.87 (3)
Cl6^v—K1—Cl5^v	90.35 (4)	Cl5^ix—K3—K2^v	147.40 (3)
Cl3^v—K1—Cl4^xiii	115.75 (5)	Cl6^i—K3—K2^v	45.75 (2)
Cl6^xiii—K1—Cl4^xiii	73.86 (4)	Cl5^i—K3—K2^v	80.19 (3)
Cl4^iii—K1—Cl4^xiii	125.31 (4)	Cl4^i—K3—K2	134.57 (3)
Cl1^ii—K1—Cl4^xiii	65.79 (3)	Cl3^v—K3—K2	82.32 (3)
Cl6^v—K1—Cl4^xiii	61.99 (3)	Cl2—K3—K2	48.25 (2)
Cl5^v—K1—Cl4^xiii	152.26 (5)	Cl2^ix—K3—K2	46.37 (2)
Cl3^v—K1—Cl1^ix	61.95 (3)	Cl1^ix—K3—K2	134.10 (4)
Cl6^xiii—K1—Cl1^ix	125.93 (4)	Cl5^ix—K3—K2	80.95 (3)
Cl4^iii—K1—Cl1^ix	118.71 (5)	Cl6^i—K3—K2	136.18 (3)
Cl1^ii—K1—Cl1^ix	94.38 (5)	Cl5^i—K3—K2	84.98 (3)
Cl6^v—K1—Cl1^ix	61.92 (3)	K2^v—K3—K2	90.49 (2)
Cl5^v—K1—Cl1^ix	116.83 (4)	Cl4^i—K3—K2^ix	46.06 (3)
Cl4^xiii—K1—Cl1^ix	53.83 (3)	Cl3^v—K3—K2^ix	171.02 (3)
Cl3^v—K1—K2^xiv	46.69 (3)	Cl2—K3—K2^ix	99.91 (3)
Cl6^xiii—K1—K2^xiv	124.23 (4)	Cl2^ix—K3—K2^ix	47.10 (2)
Cl4^iii—K1—K2^xiv	132.72 (4)	Cl1^ix—K3—K2^ix	115.40 (3)
Cl1^ii—K1—K2^xiv	139.65 (5)	Cl5^ix—K3—K2^ix	85.72 (3)
Cl6^v—K1—K2^xiv	41.30 (2)	Cl6^i—K3—K2^ix	112.88 (3)
Cl5^v—K1—K2^xiv	75.61 (3)	Cl5^i—K3—K2^ix	45.80 (2)
Cl4^xiii—K1—K2^xiv	83.78 (3)	K2^v—K3—K2^ix	125.80 (4)
Cl1^ix—K1—K2^xiv	45.31 (2)	K2—K3—K2^ix	89.12 (2)
Cl3^v—K1—K3^xv	77.10 (3)	Cl4^i—K3—K2^xiv	113.58 (3)
Cl6^xiii—K1—K3^xv	98.36 (4)	Cl3^v—K3—K2^xiv	47.94 (2)
Cl4^iii—K1—K3^xv	37.12 (2)	Cl2—K3—K2^xiv	114.26 (3)
Cl1^ii—K1—K3^xv	94.72 (3)	Cl2^ix—K3—K2^xiv	100.37 (3)
Cl6^v—K1—K3^xv	136.29 (4)	Cl1^ix—K3—K2^xiv	47.00 (3)
Cl5^v—K1—K3^xv	46.37 (3)	Cl5^ix—K3—K2^xiv	43.74 (2)
Cl4^xiii—K1—K3^xv	160.25 (4)	Cl6^i—K3—K2^xiv	104.11 (3)
Cl1^ix—K1—K3^xv	135.53 (4)	Cl5^i—K3—K2^xiv	170.76 (3)
K2^xiv—K1—K3^xv	114.99 (3)	K2^v—K3—K2^xiv	104.85 (2)
Cl3^v—K1—K3^xvi	148.94 (5)	K2—K3—K2^xiv	87.22 (2)
Cl6^xiii—K1—K3^xvi	46.91 (3)	K2^ix—K3—K2^xiv	129.24 (3)
Cl4^iii—K1—K3^xvi	99.60 (3)

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