Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe₄)_10/3I

The real crystal structure of the (NbSe₄)_10/3I charge density wave (CDW) compound is studied by simulation of the X-ray diffuse scattering. The average structure of the low-temperature twinned phase is determined and the phase transition is attributed to the formation of a CDW. The diffuse streaking, present in X-ray diffraction patterns above and below the transition at T = 282 K, is shown to be a projection of diffuse concentric rings perpendicular to the c* direction. The simulated patterns, based on a mismatch model between infinite NbSe₄ chains, correlated by I atoms, are in good accordance with the experimental patterns. In addition to the experiments, the electronic properties of the high- and the low-temperature phases are calculated with the extended Hückel tight-binding method. The Fermi surfaces of the average structures above and below the phase transition appear very similar. Their shapes support a nesting instability and a CDW formation. The weak incommensurate CDW satellites, present below the phase transition, are at 100 K properly described by a modulation wavevector q = [0.06 (1), 0, 0.55 (1)].

Computing details

For both compounds, data collection: CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.32.29; cell refinement: CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.29; data reduction: CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.29; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008).

(300K)

Crystal data

Nb10Se40·3(I)	F(000) = 3858
Mr = 4468.20	Dx = 5.192 Mg m^−3
Tetragonal, P4/mcc	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 4 2c	µ = 29.03 mm^−1
a = 9.4644 (6) Å	T = 300 K
c = 31.9063 (19) Å	Needle, black
V = 2858.0 (3) Å^3	0.38 × 0.05 × 0.05 mm
Z = 2

Data collection

Oxford Diffraction Diffractometer with Sapphire3 detector	1307 independent reflections
Radiation source: fine-focus sealed tube	931 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.067
Detector resolution: 16.0328 pixels mm^-1	θmax = 25.1°, θmin = 3.0°
ω – scan	h = −10→11
Absorption correction: multi-scan CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.29 Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −11→10
Tmin = 0.032, Tmax = 0.325	l = −32→38
16110 measured reflections

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)] = 0.032	w = 1/[σ^2(Fo^2) + (0.0425P)^2 + 5.1013P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.081	(Δ/σ)max = 0.001
S = 1.03	Δρmax = 2.59 e Å^−3
1307 reflections	Δρmin = −0.93 e Å^−3
68 parameters	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00012 (2)

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
Nb1	0.0000	0.5000	0.2500	0.0243 (3)
Nb2	0.0000	0.5000	0.45059 (3)	0.0256 (3)
Nb3	0.0000	0.5000	0.34927 (3)	0.0260 (3)
Se1	−0.12728 (8)	0.31603 (8)	0.40284 (2)	0.0277 (2)
Se2	−0.19141 (8)	0.37854 (8)	0.29652 (2)	0.0283 (2)
Se3	−0.03676 (8)	0.72096 (8)	0.30257 (2)	0.0290 (2)
Se4	−0.21663 (8)	0.55007 (8)	0.39673 (2)	0.0287 (2)
Se5	−0.10804 (12)	0.69961 (11)	0.5000	0.0307 (3)
Se6	−0.22296 (11)	0.48033 (12)	0.5000	0.0294 (3)
I1	0.0000	0.0000	0.42070 (5)	0.0593 (4)
I2	0.5000	0.5000	0.2500	0.0906 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Nb1	0.0159 (7)	0.0154 (7)	0.0415 (9)	0.000	0.000	0.000
Nb2	0.0157 (5)	0.0164 (5)	0.0446 (7)	0.0004 (3)	0.000	0.000
Nb3	0.0158 (5)	0.0166 (5)	0.0456 (6)	−0.0007 (4)	0.000	0.000
Se1	0.0197 (5)	0.0180 (4)	0.0455 (5)	−0.0018 (3)	0.0001 (3)	0.0003 (3)
Se2	0.0182 (5)	0.0219 (5)	0.0447 (5)	−0.0033 (3)	0.0002 (3)	−0.0001 (3)
Se3	0.0230 (5)	0.0178 (4)	0.0462 (5)	0.0024 (3)	0.0008 (3)	−0.0003 (3)
Se4	0.0187 (4)	0.0209 (4)	0.0466 (5)	0.0022 (3)	−0.0003 (3)	0.0013 (3)
Se5	0.0258 (7)	0.0184 (6)	0.0480 (7)	0.0044 (5)	0.000	0.000
Se6	0.0187 (6)	0.0257 (7)	0.0437 (7)	−0.0006 (5)	0.000	0.000
I1	0.0247 (4)	0.0247 (4)	0.1284 (12)	0.000	0.000	0.000
I2	0.0249 (6)	0.0249 (6)	0.222 (3)	0.000	0.000	0.000

Geometric parameters (Å, º)

Nb1—Se2^i	2.6090 (8)	Nb2—Se4	2.7170 (9)
Nb1—Se2^ii	2.6090 (7)	Nb2—Nb2^iv	3.1529 (18)
Nb1—Se2^iii	2.6090 (7)	Nb2—Nb3	3.2327 (12)
Nb1—Se2	2.6090 (8)	Nb3—Se3^i	2.5913 (9)
Nb1—Se3^iii	2.7032 (8)	Nb3—Se3	2.5913 (9)
Nb1—Se3	2.7032 (8)	Nb3—Se4^i	2.5924 (10)
Nb1—Se3^ii	2.7032 (8)	Nb3—Se4	2.5924 (10)
Nb1—Se3^i	2.7032 (8)	Nb3—Se1^i	2.7210 (10)
Nb1—Nb3^ii	3.1674 (10)	Nb3—Se1	2.7210 (10)
Nb1—Nb3	3.1674 (10)	Nb3—Se2	2.7270 (10)
Nb2—Se1	2.6084 (9)	Nb3—Se2^i	2.7270 (10)
Nb2—Se1^i	2.6084 (9)	Se1—Se4	2.3789 (11)
Nb2—Se6^iv	2.6406 (10)	Se2—Se3^i	2.3638 (11)
Nb2—Se6	2.6406 (10)	Se3—Se2^i	2.3638 (11)
Nb2—Se5	2.6646 (10)	Se5—Se6	2.3431 (16)
Nb2—Se5^iv	2.6646 (10)	Se5—Nb2^iv	2.6646 (10)
Nb2—Se4^i	2.7170 (9)	Se6—Nb2^iv	2.6406 (10)
Se2^i—Nb1—Se2^ii	92.04 (3)	Se5—Nb2—Nb2^iv	53.73 (2)
Se2^i—Nb1—Se2^iii	127.71 (4)	Se5^iv—Nb2—Nb2^iv	53.73 (2)
Se2^ii—Nb1—Se2^iii	110.65 (3)	Se4^i—Nb2—Nb2^iv	129.24 (2)
Se2^i—Nb1—Se2	110.65 (3)	Se4—Nb2—Nb2^iv	129.24 (2)
Se2^ii—Nb1—Se2	127.71 (4)	Se1—Nb2—Nb3	54.26 (2)
Se2^iii—Nb1—Se2	92.04 (3)	Se1^i—Nb2—Nb3	54.26 (2)
Se2^i—Nb1—Se3^iii	141.56 (2)	Se6^iv—Nb2—Nb3	126.66 (2)
Se2^ii—Nb1—Se3^iii	52.81 (2)	Se6—Nb2—Nb3	126.66 (2)
Se2^iii—Nb1—Se3^iii	84.18 (3)	Se5—Nb2—Nb3	126.27 (2)
Se2—Nb1—Se3^iii	85.57 (2)	Se5^iv—Nb2—Nb3	126.27 (2)
Se2^i—Nb1—Se3	52.81 (2)	Se4^i—Nb2—Nb3	50.76 (2)
Se2^ii—Nb1—Se3	141.56 (2)	Se4—Nb2—Nb3	50.76 (2)
Se2^iii—Nb1—Se3	85.57 (2)	Nb2^iv—Nb2—Nb3	180.0
Se2—Nb1—Se3	84.18 (3)	Se3^i—Nb3—Se3	109.79 (5)
Se3^iii—Nb1—Se3	165.21 (3)	Se3^i—Nb3—Se4^i	94.71 (2)
Se2^i—Nb1—Se3^ii	85.57 (2)	Se3—Nb3—Se4^i	126.13 (3)
Se2^ii—Nb1—Se3^ii	84.18 (3)	Se3^i—Nb3—Se4	126.13 (3)
Se2^iii—Nb1—Se3^ii	52.81 (2)	Se3—Nb3—Se4	94.71 (2)
Se2—Nb1—Se3^ii	141.56 (2)	Se4^i—Nb3—Se4	108.53 (5)
Se3^iii—Nb1—Se3^ii	103.30 (3)	Se3^i—Nb3—Se1^i	144.90 (2)
Se3—Nb1—Se3^ii	78.64 (3)	Se3—Nb3—Se1^i	84.51 (2)
Se2^i—Nb1—Se3^i	84.18 (3)	Se4^i—Nb3—Se1^i	53.13 (3)
Se2^ii—Nb1—Se3^i	85.57 (2)	Se4—Nb3—Se1^i	82.32 (3)
Se2^iii—Nb1—Se3^i	141.56 (2)	Se3^i—Nb3—Se1	84.51 (2)
Se2—Nb1—Se3^i	52.81 (2)	Se3—Nb3—Se1	144.90 (2)
Se3^iii—Nb1—Se3^i	78.64 (3)	Se4^i—Nb3—Se1	82.32 (3)
Se3—Nb1—Se3^i	103.30 (3)	Se4—Nb3—Se1	53.13 (3)
Se3^ii—Nb1—Se3^i	165.21 (3)	Se1^i—Nb3—Se1	102.18 (4)
Se2^i—Nb1—Nb3^ii	124.675 (17)	Se3^i—Nb3—Se2	52.70 (3)
Se2^ii—Nb1—Nb3^ii	55.325 (16)	Se3—Nb3—Se2	84.03 (3)
Se2^iii—Nb1—Nb3^ii	55.325 (16)	Se4^i—Nb3—Se2	143.98 (2)
Se2—Nb1—Nb3^ii	124.675 (16)	Se4—Nb3—Se2	84.96 (2)
Se3^iii—Nb1—Nb3^ii	51.651 (16)	Se1^i—Nb3—Se2	162.09 (2)
Se3—Nb1—Nb3^ii	128.349 (16)	Se1—Nb3—Se2	79.85 (2)
Se3^ii—Nb1—Nb3^ii	51.651 (16)	Se3^i—Nb3—Se2^i	84.03 (3)
Se3^i—Nb1—Nb3^ii	128.349 (16)	Se3—Nb3—Se2^i	52.70 (3)
Se2^i—Nb1—Nb3	55.325 (17)	Se4^i—Nb3—Se2^i	84.96 (2)
Se2^ii—Nb1—Nb3	124.675 (16)	Se4—Nb3—Se2^i	143.98 (2)
Se2^iii—Nb1—Nb3	124.675 (16)	Se1^i—Nb3—Se2^i	79.85 (2)
Se2—Nb1—Nb3	55.325 (16)	Se1—Nb3—Se2^i	162.09 (2)
Se3^iii—Nb1—Nb3	128.349 (16)	Se2—Nb3—Se2^i	103.77 (4)
Se3—Nb1—Nb3	51.651 (16)	Se3^i—Nb3—Nb1	54.89 (2)
Se3^ii—Nb1—Nb3	128.349 (16)	Se3—Nb3—Nb1	54.89 (2)
Se3^i—Nb1—Nb3	51.651 (16)	Se4^i—Nb3—Nb1	125.74 (2)
Nb3^ii—Nb1—Nb3	180.0	Se4—Nb3—Nb1	125.74 (2)
Se1—Nb2—Se1^i	108.52 (5)	Se1^i—Nb3—Nb1	128.91 (2)
Se1—Nb2—Se6^iv	139.89 (3)	Se1—Nb3—Nb1	128.91 (2)
Se1^i—Nb2—Se6^iv	86.13 (2)	Se2—Nb3—Nb1	51.89 (2)
Se1—Nb2—Se6	86.13 (2)	Se2^i—Nb3—Nb1	51.89 (2)
Se1^i—Nb2—Se6	139.89 (3)	Se3^i—Nb3—Nb2	125.11 (2)
Se6^iv—Nb2—Se6	106.69 (4)	Se3—Nb3—Nb2	125.11 (2)
Se1—Nb2—Se5	129.91 (3)	Se4^i—Nb3—Nb2	54.26 (2)
Se1^i—Nb2—Se5	92.84 (3)	Se4—Nb3—Nb2	54.26 (2)
Se6^iv—Nb2—Se5	84.46 (4)	Se1^i—Nb3—Nb2	51.09 (2)
Se6—Nb2—Se5	52.42 (4)	Se1—Nb3—Nb2	51.09 (2)
Se1—Nb2—Se5^iv	92.84 (3)	Se2—Nb3—Nb2	128.11 (2)
Se1^i—Nb2—Se5^iv	129.91 (3)	Se2^i—Nb3—Nb2	128.11 (2)
Se6^iv—Nb2—Se5^iv	52.42 (4)	Nb1—Nb3—Nb2	180.0
Se6—Nb2—Se5^iv	84.46 (4)	Se4—Se1—Nb2	65.83 (3)
Se5—Nb2—Se5^iv	107.45 (4)	Se4—Se1—Nb3	60.66 (3)
Se1—Nb2—Se4^i	82.10 (3)	Nb2—Se1—Nb3	74.65 (3)
Se1^i—Nb2—Se4^i	53.02 (3)	Se3^i—Se2—Nb1	65.64 (3)
Se6^iv—Nb2—Se4^i	77.70 (2)	Se3^i—Se2—Nb3	60.70 (3)
Se6—Nb2—Se4^i	165.55 (3)	Nb1—Se2—Nb3	72.79 (3)
Se5—Nb2—Se4^i	141.95 (3)	Se2^i—Se3—Nb3	66.60 (3)
Se5^iv—Nb2—Se4^i	87.76 (2)	Se2^i—Se3—Nb1	61.55 (3)
Se1—Nb2—Se4	53.02 (3)	Nb3—Se3—Nb1	73.45 (3)
Se1^i—Nb2—Se4	82.10 (3)	Se1—Se4—Nb3	66.21 (3)
Se6^iv—Nb2—Se4	165.55 (3)	Se1—Se4—Nb2	61.15 (2)
Se6—Nb2—Se4	77.70 (2)	Nb3—Se4—Nb2	74.97 (3)
Se5—Nb2—Se4	87.76 (2)	Se6—Se5—Nb2	63.26 (3)
Se5^iv—Nb2—Se4	141.95 (3)	Se6—Se5—Nb2^iv	63.26 (3)
Se4^i—Nb2—Se4	101.52 (4)	Nb2—Se5—Nb2^iv	72.55 (4)
Se1—Nb2—Nb2^iv	125.74 (2)	Se5—Se6—Nb2^iv	64.32 (3)
Se1^i—Nb2—Nb2^iv	125.74 (2)	Se5—Se6—Nb2	64.32 (3)
Se6^iv—Nb2—Nb2^iv	53.34 (2)	Nb2^iv—Se6—Nb2	73.31 (4)
Se6—Nb2—Nb2^iv	53.34 (2)
Se2^i—Nb1—Nb3—Se3^i	−112.95 (3)	Se4^i—Nb2—Se1—Se4	−110.91 (4)
Se2^ii—Nb1—Nb3—Se3^i	−48.16 (3)	Nb2^iv—Nb2—Se1—Se4	115.70 (2)
Se2^iii—Nb1—Nb3—Se3^i	131.84 (3)	Nb3—Nb2—Se1—Se4	−64.30 (2)
Se2—Nb1—Nb3—Se3^i	67.05 (3)	Se1^i—Nb2—Se1—Nb3	0.0
Se3^iii—Nb1—Nb3—Se3^i	18.89 (4)	Se6^iv—Nb2—Se1—Nb3	−106.70 (5)
Se3—Nb1—Nb3—Se3^i	180.0	Se6—Nb2—Se1—Nb3	141.80 (3)
Se3^ii—Nb1—Nb3—Se3^i	−161.11 (4)	Se5—Nb2—Se1—Nb3	110.39 (4)
Nb3^ii—Nb1—Nb3—Se3^i	−171 (7)	Se5^iv—Nb2—Se1—Nb3	−133.96 (3)
Se2^i—Nb1—Nb3—Se3	67.05 (3)	Se4^i—Nb2—Se1—Nb3	−46.61 (2)
Se2^ii—Nb1—Nb3—Se3	131.84 (3)	Se4—Nb2—Se1—Nb3	64.30 (2)
Se2^iii—Nb1—Nb3—Se3	−48.16 (3)	Nb2^iv—Nb2—Se1—Nb3	180.0
Se2—Nb1—Nb3—Se3	−112.95 (3)	Se3^i—Nb3—Se1—Se4	−144.34 (3)
Se3^iii—Nb1—Nb3—Se3	−161.11 (4)	Se3—Nb3—Se1—Se4	−27.29 (6)
Se3^ii—Nb1—Nb3—Se3	18.89 (4)	Se4^i—Nb3—Se1—Se4	120.13 (4)
Se3^i—Nb1—Nb3—Se3	180.0	Se1^i—Nb3—Se1—Se4	70.56 (3)
Nb3^ii—Nb1—Nb3—Se3	9 (7)	Se2—Nb3—Se1—Se4	−91.30 (3)
Se2^i—Nb1—Nb3—Se4^i	−45.41 (3)	Se2^i—Nb3—Se1—Se4	165.24 (13)
Se2^ii—Nb1—Nb3—Se4^i	19.38 (3)	Nb1—Nb3—Se1—Se4	−109.44 (3)
Se2^iii—Nb1—Nb3—Se4^i	−160.62 (3)	Nb2—Nb3—Se1—Se4	70.56 (3)
Se2—Nb1—Nb3—Se4^i	134.59 (3)	Se3^i—Nb3—Se1—Nb2	145.10 (2)
Se3^iii—Nb1—Nb3—Se4^i	86.43 (3)	Se3—Nb3—Se1—Nb2	−97.86 (6)
Se3—Nb1—Nb3—Se4^i	−112.46 (3)	Se4^i—Nb3—Se1—Nb2	49.57 (2)
Se3^ii—Nb1—Nb3—Se4^i	−93.57 (3)	Se4—Nb3—Se1—Nb2	−70.56 (3)
Se3^i—Nb1—Nb3—Se4^i	67.54 (3)	Se1^i—Nb3—Se1—Nb2	0.0
Nb3^ii—Nb1—Nb3—Se4^i	−103 (7)	Se2—Nb3—Se1—Nb2	−161.86 (2)
Se2^i—Nb1—Nb3—Se4	134.59 (3)	Se2^i—Nb3—Se1—Nb2	94.68 (12)
Se2^ii—Nb1—Nb3—Se4	−160.62 (3)	Nb1—Nb3—Se1—Nb2	180.0
Se2^iii—Nb1—Nb3—Se4	19.38 (3)	Se2^i—Nb1—Se2—Se3^i	−65.03 (2)
Se2—Nb1—Nb3—Se4	−45.41 (3)	Se2^ii—Nb1—Se2—Se3^i	44.82 (2)
Se3^iii—Nb1—Nb3—Se4	−93.57 (3)	Se2^iii—Nb1—Se2—Se3^i	163.09 (3)
Se3—Nb1—Nb3—Se4	67.54 (3)	Se3^iii—Nb1—Se2—Se3^i	79.10 (4)
Se3^ii—Nb1—Nb3—Se4	86.43 (3)	Se3—Nb1—Se2—Se3^i	−111.58 (3)
Se3^i—Nb1—Nb3—Se4	−112.46 (3)	Se3^ii—Nb1—Se2—Se3^i	−175.028 (16)
Nb3^ii—Nb1—Nb3—Se4	77 (7)	Nb3^ii—Nb1—Se2—Se3^i	114.97 (2)
Se2^i—Nb1—Nb3—Se1^i	22.92 (3)	Nb3—Nb1—Se2—Se3^i	−65.03 (2)
Se2^ii—Nb1—Nb3—Se1^i	87.72 (3)	Se2^i—Nb1—Se2—Nb3	0.0
Se2^iii—Nb1—Nb3—Se1^i	−92.28 (3)	Se2^ii—Nb1—Se2—Nb3	109.851 (17)
Se2—Nb1—Nb3—Se1^i	−157.08 (3)	Se2^iii—Nb1—Se2—Nb3	−131.88 (3)
Se3^iii—Nb1—Nb3—Se1^i	154.77 (3)	Se3^iii—Nb1—Se2—Nb3	144.13 (2)
Se3—Nb1—Nb3—Se1^i	−44.12 (3)	Se3—Nb1—Se2—Nb3	−46.54 (2)
Se3^ii—Nb1—Nb3—Se1^i	−25.23 (3)	Se3^ii—Nb1—Se2—Nb3	−110.00 (3)
Se3^i—Nb1—Nb3—Se1^i	135.88 (3)	Se3^i—Nb1—Se2—Nb3	65.03 (2)
Nb3^ii—Nb1—Nb3—Se1^i	−35 (7)	Nb3^ii—Nb1—Se2—Nb3	180.0
Se2^i—Nb1—Nb3—Se1	−157.08 (3)	Se3—Nb3—Se2—Se3^i	120.50 (4)
Se2^ii—Nb1—Nb3—Se1	−92.28 (3)	Se4^i—Nb3—Se2—Se3^i	−29.30 (6)
Se2^iii—Nb1—Nb3—Se1	87.72 (3)	Se4—Nb3—Se2—Se3^i	−144.21 (3)
Se2—Nb1—Nb3—Se1	22.92 (3)	Se1^i—Nb3—Se2—Se3^i	170.97 (12)
Se3^iii—Nb1—Nb3—Se1	−25.23 (3)	Se1—Nb3—Se2—Se3^i	−90.81 (3)
Se3—Nb1—Nb3—Se1	135.88 (3)	Se2^i—Nb3—Se2—Se3^i	71.26 (3)
Se3^ii—Nb1—Nb3—Se1	154.77 (3)	Nb1—Nb3—Se2—Se3^i	71.26 (3)
Se3^i—Nb1—Nb3—Se1	−44.12 (3)	Nb2—Nb3—Se2—Se3^i	−108.74 (3)
Nb3^ii—Nb1—Nb3—Se1	145 (38)	Se3^i—Nb3—Se2—Nb1	−71.26 (3)
Se2^i—Nb1—Nb3—Se2	180.0	Se3—Nb3—Se2—Nb1	49.24 (2)
Se2^ii—Nb1—Nb3—Se2	−115.20 (4)	Se4^i—Nb3—Se2—Nb1	−100.56 (6)
Se2^iii—Nb1—Nb3—Se2	64.80 (4)	Se4—Nb3—Se2—Nb1	144.53 (2)
Se3^iii—Nb1—Nb3—Se2	−48.16 (3)	Se1^i—Nb3—Se2—Nb1	99.71 (12)
Se3—Nb1—Nb3—Se2	112.95 (3)	Se1—Nb3—Se2—Nb1	−162.07 (2)
Se3^ii—Nb1—Nb3—Se2	131.84 (3)	Se2^i—Nb3—Se2—Nb1	0.0
Se3^i—Nb1—Nb3—Se2	−67.05 (3)	Nb2—Nb3—Se2—Nb1	180.0
Nb3^ii—Nb1—Nb3—Se2	122 (7)	Se3^i—Nb3—Se3—Se2^i	−65.61 (2)
Se2^ii—Nb1—Nb3—Se2^i	64.80 (4)	Se4^i—Nb3—Se3—Se2^i	46.15 (4)
Se2^iii—Nb1—Nb3—Se2^i	−115.20 (4)	Se4—Nb3—Se3—Se2^i	163.22 (4)
Se2—Nb1—Nb3—Se2^i	180.0	Se1^i—Nb3—Se3—Se2^i	81.42 (3)
Se3^iii—Nb1—Nb3—Se2^i	131.84 (3)	Se1—Nb3—Se3—Se2^i	−175.19 (7)
Se3—Nb1—Nb3—Se2^i	−67.05 (3)	Se2—Nb3—Se3—Se2^i	−112.37 (4)
Se3^ii—Nb1—Nb3—Se2^i	−48.16 (3)	Nb1—Nb3—Se3—Se2^i	−65.61 (2)
Se3^i—Nb1—Nb3—Se2^i	112.95 (3)	Nb2—Nb3—Se3—Se2^i	114.39 (2)
Nb3^ii—Nb1—Nb3—Se2^i	−58 (7)	Se3^i—Nb3—Se3—Nb1	0.0
Se2^i—Nb1—Nb3—Nb2	−122 (17)	Se4^i—Nb3—Se3—Nb1	111.76 (4)
Se2^ii—Nb1—Nb3—Nb2	−58 (17)	Se4—Nb3—Se3—Nb1	−131.18 (3)
Se2^iii—Nb1—Nb3—Nb2	122 (28)	Se1^i—Nb3—Se3—Nb1	147.03 (2)
Se2—Nb1—Nb3—Nb2	58 (28)	Se1—Nb3—Se3—Nb1	−109.58 (6)
Se3^iii—Nb1—Nb3—Nb2	9 (17)	Se2—Nb3—Se3—Nb1	−46.76 (2)
Se3—Nb1—Nb3—Nb2	171 (28)	Se2^i—Nb3—Se3—Nb1	65.61 (2)
Se3^ii—Nb1—Nb3—Nb2	−171 (42)	Nb2—Nb3—Se3—Nb1	180.0
Se3^i—Nb1—Nb3—Nb2	−9 (17)	Se2^ii—Nb1—Se3—Se2^i	−27.88 (6)
Nb3^ii—Nb1—Nb3—Nb2	0 (24)	Se2^iii—Nb1—Se3—Se2^i	−145.99 (3)
Se1—Nb2—Nb3—Se3^i	−44.12 (3)	Se2—Nb1—Se3—Se2^i	121.49 (3)
Se1^i—Nb2—Nb3—Se3^i	135.88 (3)	Se3^iii—Nb1—Se3—Se2^i	167.82 (2)
Se6^iv—Nb2—Nb3—Se3^i	85.60 (4)	Se3^ii—Nb1—Se3—Se2^i	−93.07 (3)
Se6—Nb2—Nb3—Se3^i	−94.40 (4)	Se3^i—Nb1—Se3—Se2^i	71.92 (3)
Se5—Nb2—Nb3—Se3^i	−161.02 (4)	Nb3^ii—Nb1—Se3—Se2^i	−108.08 (3)
Se5^iv—Nb2—Nb3—Se3^i	18.98 (4)	Nb3—Nb1—Se3—Se2^i	71.92 (3)
Se4^i—Nb2—Nb3—Se3^i	67.54 (3)	Se2^i—Nb1—Se3—Nb3	−71.92 (3)
Se4—Nb2—Nb3—Se3^i	−112.46 (3)	Se2^ii—Nb1—Se3—Nb3	−99.80 (3)
Nb2^iv—Nb2—Nb3—Se3^i	171 (94)	Se2^iii—Nb1—Se3—Nb3	142.09 (2)
Se1—Nb2—Nb3—Se3	135.88 (3)	Se2—Nb1—Se3—Nb3	49.57 (2)
Se1^i—Nb2—Nb3—Se3	−44.12 (3)	Se3^iii—Nb1—Se3—Nb3	95.89 (8)
Se6^iv—Nb2—Nb3—Se3	−94.40 (4)	Se3^ii—Nb1—Se3—Nb3	−164.99 (3)
Se6—Nb2—Nb3—Se3	85.60 (4)	Se3^i—Nb1—Se3—Nb3	0.0
Se5—Nb2—Nb3—Se3	18.98 (4)	Nb3^ii—Nb1—Se3—Nb3	180.0
Se5^iv—Nb2—Nb3—Se3	−161.02 (4)	Nb2—Se1—Se4—Nb3	85.38 (3)
Se4^i—Nb2—Nb3—Se3	−112.46 (3)	Nb3—Se1—Se4—Nb2	−85.38 (3)
Se4—Nb2—Nb3—Se3	67.54 (3)	Se3^i—Nb3—Se4—Se1	45.92 (4)
Nb2^iv—Nb2—Nb3—Se3	−9 (93)	Se3—Nb3—Se4—Se1	164.66 (3)
Se1—Nb2—Nb3—Se4^i	−111.66 (3)	Se4^i—Nb3—Se4—Se1	−64.68 (2)
Se1^i—Nb2—Nb3—Se4^i	68.34 (3)	Se1^i—Nb3—Se4—Se1	−111.54 (4)
Se6^iv—Nb2—Nb3—Se4^i	18.06 (4)	Se2—Nb3—Se4—Se1	81.09 (3)
Se6—Nb2—Nb3—Se4^i	−161.94 (4)	Se2^i—Nb3—Se4—Se1	−172.35 (7)
Se5—Nb2—Nb3—Se4^i	131.44 (4)	Nb1—Nb3—Se4—Se1	115.32 (2)
Se5^iv—Nb2—Nb3—Se4^i	−48.56 (4)	Nb2—Nb3—Se4—Se1	−64.68 (2)
Se4—Nb2—Nb3—Se4^i	180.0	Se3^i—Nb3—Se4—Nb2	110.61 (4)
Nb2^iv—Nb2—Nb3—Se4^i	103 (91)	Se3—Nb3—Se4—Nb2	−130.66 (3)
Se1—Nb2—Nb3—Se4	68.34 (3)	Se4^i—Nb3—Se4—Nb2	0.0
Se1^i—Nb2—Nb3—Se4	−111.66 (3)	Se1^i—Nb3—Se4—Nb2	−46.86 (2)
Se6^iv—Nb2—Nb3—Se4	−161.94 (4)	Se1—Nb3—Se4—Nb2	64.68 (2)
Se6—Nb2—Nb3—Se4	18.06 (4)	Se2—Nb3—Se4—Nb2	145.77 (2)
Se5—Nb2—Nb3—Se4	−48.56 (4)	Se2^i—Nb3—Se4—Nb2	−107.66 (6)
Se5^iv—Nb2—Nb3—Se4	131.44 (4)	Nb1—Nb3—Se4—Nb2	180.0
Se4^i—Nb2—Nb3—Se4	180.0	Se1^i—Nb2—Se4—Se1	120.39 (4)
Nb2^iv—Nb2—Nb3—Se4	−77 (89)	Se6^iv—Nb2—Se4—Se1	156.18 (14)
Se1—Nb2—Nb3—Se1^i	180.0	Se6—Nb2—Se4—Se1	−94.47 (3)
Se6^iv—Nb2—Nb3—Se1^i	−50.28 (4)	Se5—Nb2—Se4—Se1	−146.43 (4)
Se6—Nb2—Nb3—Se1^i	129.72 (4)	Se5^iv—Nb2—Se4—Se1	−30.51 (6)
Se5—Nb2—Nb3—Se1^i	63.10 (4)	Se4^i—Nb2—Se4—Se1	70.79 (3)
Se5^iv—Nb2—Nb3—Se1^i	−116.90 (4)	Nb2^iv—Nb2—Se4—Se1	−109.21 (3)
Se4^i—Nb2—Nb3—Se1^i	−68.34 (3)	Nb3—Nb2—Se4—Se1	70.79 (3)
Se4—Nb2—Nb3—Se1^i	111.66 (3)	Se1—Nb2—Se4—Nb3	−70.79 (3)
Nb2^iv—Nb2—Nb3—Se1^i	35 (87)	Se1^i—Nb2—Se4—Nb3	49.60 (2)
Se1^i—Nb2—Nb3—Se1	180.0	Se6^iv—Nb2—Se4—Nb3	85.39 (14)
Se6^iv—Nb2—Nb3—Se1	129.72 (4)	Se6—Nb2—Se4—Nb3	−165.26 (3)
Se6—Nb2—Nb3—Se1	−50.28 (4)	Se5—Nb2—Se4—Nb3	142.78 (3)
Se5—Nb2—Nb3—Se1	−116.90 (4)	Se5^iv—Nb2—Se4—Nb3	−101.30 (5)
Se5^iv—Nb2—Nb3—Se1	63.10 (4)	Se4^i—Nb2—Se4—Nb3	0.0
Se4^i—Nb2—Nb3—Se1	111.66 (3)	Nb2^iv—Nb2—Se4—Nb3	180.0
Se4—Nb2—Nb3—Se1	−68.34 (3)	Se1—Nb2—Se5—Se6	41.01 (4)
Nb2^iv—Nb2—Nb3—Se1	−145 (94)	Se1^i—Nb2—Se5—Se6	158.15 (3)
Se1—Nb2—Nb3—Se2	22.92 (3)	Se6^iv—Nb2—Se5—Se6	−116.02 (3)
Se1^i—Nb2—Nb3—Se2	−157.08 (3)	Se5^iv—Nb2—Se5—Se6	−68.31 (3)
Se6^iv—Nb2—Nb3—Se2	152.64 (4)	Se4^i—Nb2—Se5—Se6	−177.90 (6)
Se6—Nb2—Nb3—Se2	−27.36 (4)	Se4—Nb2—Se5—Se6	76.17 (3)
Se5—Nb2—Nb3—Se2	−93.97 (4)	Nb2^iv—Nb2—Se5—Se6	−68.31 (3)
Se5^iv—Nb2—Nb3—Se2	86.03 (4)	Nb3—Nb2—Se5—Se6	111.69 (3)
Se4^i—Nb2—Nb3—Se2	134.59 (3)	Se1—Nb2—Se5—Nb2^iv	109.31 (4)
Se4—Nb2—Nb3—Se2	−45.41 (3)	Se1^i—Nb2—Se5—Nb2^iv	−133.55 (3)
Nb2^iv—Nb2—Nb3—Se2	−122 (92)	Se6^iv—Nb2—Se5—Nb2^iv	−47.72 (3)
Se1—Nb2—Nb3—Se2^i	−157.08 (3)	Se6—Nb2—Se5—Nb2^iv	68.31 (3)
Se1^i—Nb2—Nb3—Se2^i	22.92 (3)	Se5^iv—Nb2—Se5—Nb2^iv	0.0
Se6^iv—Nb2—Nb3—Se2^i	−27.36 (4)	Se4^i—Nb2—Se5—Nb2^iv	−109.60 (5)
Se6—Nb2—Nb3—Se2^i	152.64 (4)	Se4—Nb2—Se5—Nb2^iv	144.47 (3)
Se5—Nb2—Nb3—Se2^i	86.03 (4)	Nb3—Nb2—Se5—Nb2^iv	180.0
Se5^iv—Nb2—Nb3—Se2^i	−93.97 (4)	Nb2—Se5—Se6—Nb2^iv	82.97 (4)
Se4^i—Nb2—Nb3—Se2^i	−45.41 (3)	Nb2^iv—Se5—Se6—Nb2	−82.97 (4)
Se4—Nb2—Nb3—Se2^i	134.59 (3)	Se1—Nb2—Se6—Se5	−149.71 (3)
Nb2^iv—Nb2—Nb3—Se2^i	58 (94)	Se1^i—Nb2—Se6—Se5	−35.25 (5)
Se1—Nb2—Nb3—Nb1	−35 (7)	Se6^iv—Nb2—Se6—Se5	69.03 (3)
Se1^i—Nb2—Nb3—Nb1	145 (38)	Se5^iv—Nb2—Se6—Se5	117.06 (3)
Se6^iv—Nb2—Nb3—Nb1	95 (7)	Se4^i—Nb2—Se6—Se5	174.81 (14)
Se6—Nb2—Nb3—Nb1	−85 (7)	Se4—Nb2—Se6—Se5	−96.75 (3)
Se5—Nb2—Nb3—Nb1	−152 (7)	Nb2^iv—Nb2—Se6—Se5	69.03 (3)
Se5^iv—Nb2—Nb3—Nb1	28 (7)	Nb3—Nb2—Se6—Se5	−110.97 (3)
Se4^i—Nb2—Nb3—Nb1	77 (7)	Se1—Nb2—Se6—Nb2^iv	141.26 (3)
Se4—Nb2—Nb3—Nb1	−103 (7)	Se1^i—Nb2—Se6—Nb2^iv	−104.28 (5)
Nb2^iv—Nb2—Nb3—Nb1	0 (22)	Se6^iv—Nb2—Se6—Nb2^iv	0.0
Se1^i—Nb2—Se1—Se4	−64.30 (2)	Se5—Nb2—Se6—Nb2^iv	−69.03 (3)
Se6^iv—Nb2—Se1—Se4	−171.00 (6)	Se5^iv—Nb2—Se6—Nb2^iv	48.03 (3)
Se6—Nb2—Se1—Se4	77.50 (3)	Se4^i—Nb2—Se6—Nb2^iv	105.78 (14)
Se5—Nb2—Se1—Se4	46.09 (4)	Se4—Nb2—Se6—Nb2^iv	−165.78 (3)
Se5^iv—Nb2—Se1—Se4	161.75 (4)	Nb3—Nb2—Se6—Nb2^iv	180.0

Symmetry codes: (i) −x, −y+1, z; (ii) −x, y, −z+1/2; (iii) x, −y+1, −z+1/2; (iv) −x, −y+1, −z+1.

(100K)

Crystal data

Nb10Se40·3(I)	Z = 2
Mr = 4468.20	F(000) = 3858
Monoclinic, P2/c	Dx = 5.236 Mg m^−3
Hall symbol: -P 2yc	Cu Kα radiation, λ = 1.54184 Å
a = 9.4415 (6) Å	µ = 58.22 mm^−1
b = 9.4235 (7) Å	T = 100 K
c = 31.883 (3) Å	Needle, black
β = 92.352 (8)°	0.38 × 0.05 × 0.05 mm
V = 2834.3 (4) Å^3

Data collection

SuperNova, Dual, Cu at zero, Atlas diffractometer	3316 independent reflections
Radiation source: SuperNova (Cu) X-ray Source	2282 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.113
Detector resolution: 10.3953 pixels mm^-1	θmax = 71.6°, θmin = 8.4°
ω scans	h = −11→11
Absorption correction: multi-scan CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.29 Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −11→11
Tmin = 0.017, Tmax = 0.159	l = −34→37
20280 measured reflections

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)] = 0.058	Secondary atom site location: difference Fourier map
wR(F^2) = 0.153	w = 1/[σ^2(Fo^2) + (0.0443P)^2 + 108.1739P] where P = (Fo^2 + 2Fc^2)/3
S = 1.19	(Δ/σ)max < 0.001
3316 reflections	Δρmax = 1.88 e Å^−3
241 parameters	Δρmin = −1.56 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
Nb1A	0.0000	0.5009 (3)	0.2500	0.0122 (5)
Nb1C	0.5000	1.0013 (3)	0.2500	0.0120 (5)
Nb2A	−0.00035 (16)	0.5007 (2)	0.45050 (4)	0.0135 (4)
Nb2C	0.49991 (16)	1.0000 (2)	0.45054 (4)	0.0132 (4)
Nb3A	0.00071 (16)	0.50101 (19)	0.34930 (4)	0.0135 (4)
Nb3C	0.49986 (16)	1.0006 (2)	0.34926 (4)	0.0135 (4)
Se1A	−0.1277 (2)	0.3155 (2)	0.40105 (6)	0.0141 (4)
Se1B	0.1275 (2)	0.6860 (2)	0.40445 (5)	0.0144 (4)
Se1C	0.6845 (2)	0.8729 (2)	0.40468 (5)	0.0147 (5)
Se1D	0.3143 (2)	1.1280 (2)	0.40074 (6)	0.0145 (5)
Se2A	−0.1913 (2)	0.3793 (2)	0.29447 (5)	0.0146 (5)
Se2B	−0.1930 (2)	0.6226 (2)	0.20132 (5)	0.0129 (4)
Se2C	0.6222 (2)	0.8090 (2)	0.29792 (5)	0.0147 (5)
Se2D	0.3786 (2)	1.1928 (2)	0.29516 (5)	0.0141 (4)
Se3A	−0.0359 (2)	0.7231 (2)	0.30215 (5)	0.0140 (4)
Se3B	−0.0380 (2)	0.2793 (3)	0.19703 (5)	0.0151 (5)
Se3C	0.2779 (2)	0.9644 (2)	0.29976 (5)	0.0139 (4)
Se3D	0.7213 (2)	1.0381 (2)	0.30527 (5)	0.0146 (5)
Se4A	−0.2170 (2)	0.5516 (2)	0.39409 (5)	0.0151 (5)
Se4B	0.2179 (2)	0.4508 (2)	0.39951 (5)	0.0151 (5)
Se4C	0.4493 (2)	0.7828 (3)	0.39618 (5)	0.0154 (5)
Se4D	0.5493 (2)	1.2178 (2)	0.39748 (5)	0.0144 (4)
Se5A	−0.1088 (2)	0.6997 (2)	0.49905 (5)	0.0152 (5)
Se5C	0.3003 (2)	0.8910 (2)	0.49768 (6)	0.0146 (4)
Se6A	−0.2234 (2)	0.4791 (2)	0.49719 (5)	0.0135 (4)
Se6C	0.5210 (2)	0.7765 (2)	0.50023 (6)	0.0143 (4)
I1	0.99927 (16)	1.00295 (19)	0.42179 (4)	0.0261 (3)
I2	0.5000	0.5047 (3)	0.2500	0.0361 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Nb1A	0.0084 (11)	0.0122 (13)	0.0159 (11)	0.000	−0.0002 (6)	0.000
Nb1C	0.0086 (11)	0.0104 (12)	0.0169 (11)	0.000	−0.0001 (6)	0.000
Nb2A	0.0088 (9)	0.0116 (10)	0.0200 (9)	−0.0005 (7)	0.0001 (5)	−0.0012 (5)
Nb2C	0.0074 (8)	0.0117 (10)	0.0204 (9)	0.0002 (7)	0.0000 (5)	0.0015 (5)
Nb3A	0.0088 (9)	0.0116 (10)	0.0201 (9)	0.0002 (7)	0.0005 (5)	0.0042 (5)
Nb3C	0.0079 (9)	0.0120 (10)	0.0206 (9)	0.0017 (7)	−0.0014 (5)	−0.0035 (5)
Se1A	0.0096 (11)	0.0139 (12)	0.0190 (11)	−0.0002 (9)	0.0006 (6)	0.0002 (6)
Se1B	0.0111 (11)	0.0139 (12)	0.0183 (11)	0.0011 (9)	0.0010 (6)	0.0003 (6)
Se1C	0.0083 (11)	0.0175 (13)	0.0183 (11)	0.0006 (9)	−0.0002 (6)	−0.0009 (6)
Se1D	0.0087 (11)	0.0147 (13)	0.0199 (11)	0.0011 (9)	−0.0007 (6)	−0.0004 (6)
Se2A	0.0113 (11)	0.0167 (13)	0.0156 (11)	−0.0005 (9)	0.0005 (6)	0.0009 (6)
Se2B	0.0093 (10)	0.0102 (12)	0.0190 (11)	0.0020 (9)	0.0005 (6)	0.0008 (6)
Se2C	0.0104 (11)	0.0158 (13)	0.0177 (11)	0.0020 (9)	0.0000 (6)	−0.0005 (6)
Se2D	0.0098 (11)	0.0143 (12)	0.0181 (11)	0.0006 (9)	−0.0004 (6)	−0.0003 (6)
Se3A	0.0118 (11)	0.0129 (12)	0.0172 (11)	0.0004 (9)	0.0006 (6)	0.0006 (6)
Se3B	0.0120 (11)	0.0148 (12)	0.0186 (11)	−0.0018 (9)	0.0014 (6)	−0.0023 (6)
Se3C	0.0090 (10)	0.0146 (13)	0.0181 (10)	−0.0015 (9)	−0.0006 (6)	−0.0005 (6)
Se3D	0.0103 (11)	0.0151 (13)	0.0183 (10)	−0.0009 (9)	−0.0019 (6)	−0.0012 (6)
Se4A	0.0111 (11)	0.0174 (13)	0.0168 (10)	0.0011 (9)	−0.0005 (6)	0.0010 (6)
Se4B	0.0105 (11)	0.0165 (13)	0.0185 (10)	0.0026 (9)	0.0013 (6)	0.0005 (6)
Se4C	0.0111 (11)	0.0185 (13)	0.0165 (11)	−0.0020 (9)	−0.0002 (6)	−0.0022 (6)
Se4D	0.0114 (11)	0.0132 (12)	0.0185 (11)	−0.0014 (9)	−0.0002 (6)	−0.0004 (6)
Se5A	0.0129 (11)	0.0166 (13)	0.0161 (11)	0.0025 (9)	0.0006 (6)	−0.0006 (6)
Se5C	0.0094 (11)	0.0155 (12)	0.0188 (11)	−0.0004 (9)	−0.0012 (6)	−0.0002 (6)
Se6A	0.0100 (11)	0.0130 (12)	0.0174 (10)	0.0001 (9)	0.0002 (6)	−0.0003 (6)
Se6C	0.0115 (11)	0.0140 (12)	0.0173 (10)	0.0015 (9)	−0.0001 (6)	−0.0006 (6)
I1	0.0120 (7)	0.0165 (8)	0.0497 (9)	0.0005 (7)	−0.0005 (4)	0.0006 (5)
I2	0.0137 (13)	0.0179 (15)	0.0765 (18)	0.000	−0.0003 (8)	0.000

Geometric parameters (Å, º)

Nb1A—Se2A^i	2.607 (2)	Nb2C—Se4D	2.712 (3)
Nb1A—Se2A	2.607 (2)	Nb2C—Nb2C^iv	3.154 (3)
Nb1A—Se2B^i	2.610 (2)	Nb2C—Nb3C	3.2292 (19)
Nb1A—Se2B	2.610 (2)	Nb3A—Se3B^i	2.591 (3)
Nb1A—Se3B	2.701 (3)	Nb3A—Se3A	2.592 (3)
Nb1A—Se3B^i	2.701 (3)	Nb3A—Se4B	2.593 (3)
Nb1A—Se3A	2.704 (3)	Nb3A—Se4A	2.595 (3)
Nb1A—Se3A^i	2.704 (3)	Nb3A—Se1B	2.719 (3)
Nb1A—Nb3A	3.1656 (13)	Nb3A—Se2A	2.720 (3)
Nb1A—Nb3A^i	3.1656 (13)	Nb3A—Se1A	2.722 (3)
Nb1C—Se2D	2.604 (3)	Nb3A—Se2B^i	2.730 (3)
Nb1C—Se2D^ii	2.604 (3)	Nb3C—Se3D	2.590 (3)
Nb1C—Se2C^ii	2.609 (3)	Nb3C—Se4D	2.591 (3)
Nb1C—Se2C	2.609 (3)	Nb3C—Se3C	2.593 (2)
Nb1C—Se3D^ii	2.700 (2)	Nb3C—Se4C	2.595 (3)
Nb1C—Se3D	2.700 (2)	Nb3C—Se1C	2.712 (3)
Nb1C—Se3C	2.703 (2)	Nb3C—Se2D	2.721 (3)
Nb1C—Se3C^ii	2.703 (2)	Nb3C—Se2C	2.726 (3)
Nb1C—Nb3C^ii	3.1648 (13)	Nb3C—Se1D	2.728 (3)
Nb1C—Nb3C	3.1648 (13)	Se1A—Se4A	2.386 (3)
Nb2A—Se1B	2.609 (3)	Se1B—Se4B	2.382 (3)
Nb2A—Se1A	2.612 (3)	Se1C—Se4C	2.382 (3)
Nb2A—Se6A	2.637 (3)	Se1D—Se4D	2.381 (3)
Nb2A—Se6A^iii	2.644 (2)	Se2A—Se3B^i	2.367 (3)
Nb2A—Se5A^iii	2.661 (3)	Se2B—Se3A^i	2.366 (3)
Nb2A—Se5A	2.663 (3)	Se2B—Nb3A^i	2.730 (3)
Nb2A—Se4A	2.710 (2)	Se2C—Se3D	2.361 (3)
Nb2A—Se4B	2.718 (3)	Se2D—Se3C	2.360 (3)
Nb2A—Nb2A^iii	3.156 (3)	Se3A—Se2B^i	2.366 (3)
Nb2A—Nb3A	3.2272 (19)	Se3B—Se2A^i	2.367 (3)
Nb2C—Se1C	2.611 (3)	Se3B—Nb3A^i	2.591 (3)
Nb2C—Se1D	2.612 (3)	Se5A—Se6A	2.344 (3)
Nb2C—Se6C	2.638 (3)	Se5A—Nb2A^iii	2.661 (3)
Nb2C—Se6C^iv	2.639 (3)	Se5C—Se6C	2.345 (3)
Nb2C—Se5C^iv	2.661 (2)	Se5C—Nb2C^iv	2.661 (2)
Nb2C—Se5C	2.664 (3)	Se6A—Nb2A^iii	2.644 (2)
Nb2C—Se4C	2.712 (3)	Se6C—Nb2C^iv	2.639 (3)
Se2A^i—Nb1A—Se2A	127.84 (14)	Se6C—Nb2C—Nb2C^iv	53.31 (6)
Se2A^i—Nb1A—Se2B^i	91.96 (6)	Se6C^iv—Nb2C—Nb2C^iv	53.29 (7)
Se2A—Nb1A—Se2B^i	110.62 (6)	Se5C^iv—Nb2C—Nb2C^iv	53.73 (6)
Se2A^i—Nb1A—Se2B	110.62 (6)	Se5C—Nb2C—Nb2C^iv	53.64 (6)
Se2A—Nb1A—Se2B	91.96 (6)	Se4C—Nb2C—Nb2C^iv	129.20 (10)
Se2B^i—Nb1A—Se2B	127.85 (14)	Se4D—Nb2C—Nb2C^iv	129.10 (10)
Se2A^i—Nb1A—Se3B	52.94 (7)	Se1C—Nb2C—Nb3C	54.10 (6)
Se2A—Nb1A—Se3B	85.57 (9)	Se1D—Nb2C—Nb3C	54.45 (6)
Se2B^i—Nb1A—Se3B	141.58 (8)	Se6C—Nb2C—Nb3C	126.78 (8)
Se2B—Nb1A—Se3B	84.05 (7)	Se6C^iv—Nb2C—Nb3C	126.62 (8)
Se2A^i—Nb1A—Se3B^i	85.57 (9)	Se5C^iv—Nb2C—Nb3C	126.21 (7)
Se2A—Nb1A—Se3B^i	52.94 (7)	Se5C—Nb2C—Nb3C	126.42 (7)
Se2B^i—Nb1A—Se3B^i	84.05 (7)	Se4C—Nb2C—Nb3C	50.90 (6)
Se2B—Nb1A—Se3B^i	141.58 (8)	Se4D—Nb2C—Nb3C	50.79 (6)
Se3B—Nb1A—Se3B^i	78.69 (11)	Nb2C^iv—Nb2C—Nb3C	179.90 (11)
Se2A^i—Nb1A—Se3A	141.45 (9)	Se3B^i—Nb3A—Se3A	109.80 (8)
Se2A—Nb1A—Se3A	84.20 (7)	Se3B^i—Nb3A—Se4B	94.71 (9)
Se2B^i—Nb1A—Se3A	52.85 (7)	Se3A—Nb3A—Se4B	126.06 (10)
Se2B—Nb1A—Se3A	85.59 (9)	Se3B^i—Nb3A—Se4A	126.24 (10)
Se3B—Nb1A—Se3A	165.17 (6)	Se3A—Nb3A—Se4A	94.65 (9)
Se3B^i—Nb1A—Se3A	103.37 (6)	Se4B—Nb3A—Se4A	108.54 (8)
Se2A^i—Nb1A—Se3A^i	84.20 (7)	Se3B^i—Nb3A—Se1B	145.00 (9)
Se2A—Nb1A—Se3A^i	141.45 (9)	Se3A—Nb3A—Se1B	84.38 (8)
Se2B^i—Nb1A—Se3A^i	85.59 (9)	Se4B—Nb3A—Se1B	53.23 (7)
Se2B—Nb1A—Se3A^i	52.85 (7)	Se4A—Nb3A—Se1B	82.18 (8)
Se3B—Nb1A—Se3A^i	103.37 (6)	Se3B^i—Nb3A—Se2A	52.86 (7)
Se3B^i—Nb1A—Se3A^i	165.17 (6)	Se3A—Nb3A—Se2A	84.16 (8)
Se3A—Nb1A—Se3A^i	78.48 (11)	Se4B—Nb3A—Se2A	144.03 (10)
Se2A^i—Nb1A—Nb3A	124.82 (7)	Se4A—Nb3A—Se2A	84.78 (8)
Se2A—Nb1A—Nb3A	55.21 (5)	Se1B—Nb3A—Se2A	161.86 (10)
Se2B^i—Nb1A—Nb3A	55.42 (5)	Se3B^i—Nb3A—Se1A	84.38 (8)
Se2B—Nb1A—Nb3A	124.56 (7)	Se3A—Nb3A—Se1A	144.88 (9)
Se3B—Nb1A—Nb3A	128.35 (10)	Se4B—Nb3A—Se1A	82.48 (8)
Se3B^i—Nb1A—Nb3A	51.69 (6)	Se4A—Nb3A—Se1A	53.26 (7)
Se3A—Nb1A—Nb3A	51.68 (6)	Se1B—Nb3A—Se1A	102.40 (7)
Se3A^i—Nb1A—Nb3A	128.28 (9)	Se2A—Nb3A—Se1A	79.47 (8)
Se2A^i—Nb1A—Nb3A^i	55.21 (5)	Se3B^i—Nb3A—Se2B^i	83.82 (8)
Se2A—Nb1A—Nb3A^i	124.82 (7)	Se3A—Nb3A—Se2B^i	52.72 (7)
Se2B^i—Nb1A—Nb3A^i	124.56 (7)	Se4B—Nb3A—Se2B^i	85.02 (8)
Se2B—Nb1A—Nb3A^i	55.42 (5)	Se4A—Nb3A—Se2B^i	144.02 (10)
Se3B—Nb1A—Nb3A^i	51.69 (6)	Se1B—Nb3A—Se2B^i	80.06 (8)
Se3B^i—Nb1A—Nb3A^i	128.35 (10)	Se2A—Nb3A—Se2B^i	103.83 (7)
Se3A—Nb1A—Nb3A^i	128.28 (9)	Se1A—Nb3A—Se2B^i	162.03 (10)
Se3A^i—Nb1A—Nb3A^i	51.68 (6)	Se3B^i—Nb3A—Nb1A	54.86 (7)
Nb3A—Nb1A—Nb3A^i	179.96 (11)	Se3A—Nb3A—Nb1A	54.93 (7)
Se2D—Nb1C—Se2D^ii	92.24 (13)	Se4B—Nb3A—Nb1A	125.91 (7)
Se2D—Nb1C—Se2C^ii	127.69 (7)	Se4A—Nb3A—Nb1A	125.54 (7)
Se2D^ii—Nb1C—Se2C^ii	110.59 (6)	Se1B—Nb3A—Nb1A	129.04 (8)
Se2D—Nb1C—Se2C	110.59 (6)	Se2A—Nb3A—Nb1A	51.91 (5)
Se2D^ii—Nb1C—Se2C	127.69 (7)	Se1A—Nb3A—Nb1A	128.55 (8)
Se2C^ii—Nb1C—Se2C	91.98 (12)	Se2B^i—Nb3A—Nb1A	51.91 (5)
Se2D—Nb1C—Se3D^ii	85.73 (7)	Se3B^i—Nb3A—Nb2A	125.12 (8)
Se2D^ii—Nb1C—Se3D^ii	84.06 (7)	Se3A—Nb3A—Nb2A	125.08 (8)
Se2C^ii—Nb1C—Se3D^ii	52.79 (7)	Se4B—Nb3A—Nb2A	54.36 (6)
Se2C—Nb1C—Se3D^ii	141.56 (11)	Se4A—Nb3A—Nb2A	54.18 (6)
Se2D—Nb1C—Se3D	84.06 (7)	Se1B—Nb3A—Nb2A	51.18 (6)
Se2D^ii—Nb1C—Se3D	85.73 (7)	Se2A—Nb3A—Nb2A	127.80 (7)
Se2C^ii—Nb1C—Se3D	141.56 (11)	Se1A—Nb3A—Nb2A	51.22 (6)
Se2C—Nb1C—Se3D	52.79 (7)	Se2B^i—Nb3A—Nb2A	128.37 (7)
Se3D^ii—Nb1C—Se3D	165.24 (15)	Nb1A—Nb3A—Nb2A	179.69 (7)
Se2D—Nb1C—Se3C	52.78 (7)	Se3D—Nb3C—Se4D	94.81 (9)
Se2D^ii—Nb1C—Se3C	141.58 (11)	Se3D—Nb3C—Se3C	109.80 (7)
Se2C^ii—Nb1C—Se3C	85.37 (7)	Se4D—Nb3C—Se3C	125.91 (10)
Se2C—Nb1C—Se3C	84.36 (7)	Se3D—Nb3C—Se4C	126.29 (10)
Se3D^ii—Nb1C—Se3C	78.55 (6)	Se4D—Nb3C—Se4C	108.39 (8)
Se3D—Nb1C—Se3C	103.39 (6)	Se3C—Nb3C—Se4C	94.79 (9)
Se2D—Nb1C—Se3C^ii	141.58 (11)	Se3D—Nb3C—Se1C	84.36 (8)
Se2D^ii—Nb1C—Se3C^ii	52.78 (7)	Se4D—Nb3C—Se1C	82.46 (8)
Se2C^ii—Nb1C—Se3C^ii	84.36 (7)	Se3C—Nb3C—Se1C	145.04 (10)
Se2C—Nb1C—Se3C^ii	85.37 (7)	Se4C—Nb3C—Se1C	53.28 (7)
Se3D^ii—Nb1C—Se3C^ii	103.39 (6)	Se3D—Nb3C—Se2D	83.91 (8)
Se3D—Nb1C—Se3C^ii	78.55 (6)	Se4D—Nb3C—Se2D	84.90 (8)
Se3C—Nb1C—Se3C^ii	165.20 (14)	Se3C—Nb3C—Se2D	52.67 (7)
Se2D—Nb1C—Nb3C^ii	124.94 (8)	Se4C—Nb3C—Se2D	144.01 (9)
Se2D^ii—Nb1C—Nb3C^ii	55.26 (5)	Se1C—Nb3C—Se2D	161.95 (10)
Se2C^ii—Nb1C—Nb3C^ii	55.33 (6)	Se3D—Nb3C—Se2C	52.68 (7)
Se2C—Nb1C—Nb3C^ii	124.46 (8)	Se4D—Nb3C—Se2C	144.04 (9)
Se3D^ii—Nb1C—Nb3C^ii	51.66 (5)	Se3C—Nb3C—Se2C	84.20 (7)
Se3D—Nb1C—Nb3C^ii	128.38 (5)	Se4C—Nb3C—Se2C	85.11 (8)
Se3C—Nb1C—Nb3C^ii	128.23 (5)	Se1C—Nb3C—Se2C	79.66 (7)
Se3C^ii—Nb1C—Nb3C^ii	51.73 (5)	Se2D—Nb3C—Se2C	103.76 (7)
Se2D—Nb1C—Nb3C	55.26 (5)	Se3D—Nb3C—Se1D	144.96 (10)
Se2D^ii—Nb1C—Nb3C	124.94 (8)	Se4D—Nb3C—Se1D	53.11 (7)
Se2C^ii—Nb1C—Nb3C	124.46 (8)	Se3C—Nb3C—Se1D	84.33 (8)
Se2C—Nb1C—Nb3C	55.33 (6)	Se4C—Nb3C—Se1D	82.14 (8)
Se3D^ii—Nb1C—Nb3C	128.38 (5)	Se1C—Nb3C—Se1D	102.41 (7)
Se3D—Nb1C—Nb3C	51.66 (5)	Se2D—Nb3C—Se1D	79.89 (8)
Se3C—Nb1C—Nb3C	51.73 (5)	Se2C—Nb3C—Se1D	162.05 (10)
Se3C^ii—Nb1C—Nb3C	128.23 (5)	Se3D—Nb3C—Nb1C	54.88 (5)
Nb3C^ii—Nb1C—Nb3C	179.76 (11)	Se4D—Nb3C—Nb1C	125.76 (9)
Se1B—Nb2A—Se1A	108.64 (8)	Se3C—Nb3C—Nb1C	54.92 (5)
Se1B—Nb2A—Se6A	140.20 (10)	Se4C—Nb3C—Nb1C	125.85 (9)
Se1A—Nb2A—Se6A	86.02 (8)	Se1C—Nb3C—Nb1C	128.74 (7)
Se1B—Nb2A—Se6A^iii	86.02 (8)	Se2D—Nb3C—Nb1C	51.84 (6)
Se1A—Nb2A—Se6A^iii	139.90 (10)	Se2C—Nb3C—Nb1C	51.92 (6)
Se6A—Nb2A—Se6A^iii	106.60 (7)	Se1D—Nb3C—Nb1C	128.86 (7)
Se1B—Nb2A—Se5A^iii	129.68 (9)	Se3D—Nb3C—Nb2C	125.09 (7)
Se1A—Nb2A—Se5A^iii	92.74 (9)	Se4D—Nb3C—Nb2C	54.22 (6)
Se6A—Nb2A—Se5A^iii	84.40 (8)	Se3C—Nb3C—Nb2C	125.12 (7)
Se6A^iii—Nb2A—Se5A^iii	52.43 (7)	Se4C—Nb3C—Nb2C	54.18 (6)
Se1B—Nb2A—Se5A	93.07 (9)	Se1C—Nb3C—Nb2C	51.25 (5)
Se1A—Nb2A—Se5A	130.02 (9)	Se2D—Nb3C—Nb2C	128.16 (8)
Se6A—Nb2A—Se5A	52.49 (7)	Se2C—Nb3C—Nb2C	128.08 (8)
Se6A^iii—Nb2A—Se5A	84.21 (8)	Se1D—Nb3C—Nb2C	51.16 (5)
Se5A^iii—Nb2A—Se5A	107.29 (7)	Nb1C—Nb3C—Nb2C	179.96 (9)
Se1B—Nb2A—Se4A	82.09 (8)	Se4A—Se1A—Nb2A	65.51 (8)
Se1A—Nb2A—Se4A	53.23 (7)	Se4A—Se1A—Nb3A	60.63 (8)
Se6A—Nb2A—Se4A	77.86 (7)	Nb2A—Se1A—Nb3A	74.43 (8)
Se6A^iii—Nb2A—Se4A	165.35 (11)	Se4B—Se1B—Nb2A	65.80 (8)
Se5A^iii—Nb2A—Se4A	142.15 (10)	Se4B—Se1B—Nb3A	60.68 (8)
Se5A—Nb2A—Se4A	87.91 (8)	Nb2A—Se1B—Nb3A	74.53 (7)
Se1B—Nb2A—Se4B	53.09 (7)	Se4C—Se1C—Nb2C	65.59 (8)
Se1A—Nb2A—Se4B	82.23 (8)	Se4C—Se1C—Nb3C	60.84 (8)
Se6A—Nb2A—Se4B	165.32 (11)	Nb2C—Se1C—Nb3C	74.66 (7)
Se6A^iii—Nb2A—Se4B	77.52 (7)	Se4D—Se1D—Nb2C	65.62 (8)
Se5A^iii—Nb2A—Se4B	87.39 (8)	Se4D—Se1D—Nb3C	60.48 (8)
Se5A—Nb2A—Se4B	142.06 (10)	Nb2C—Se1D—Nb3C	74.39 (7)
Se4A—Nb2A—Se4B	101.76 (7)	Se3B^i—Se2A—Nb1A	65.56 (8)
Se1B—Nb2A—Nb2A^iii	125.71 (10)	Se3B^i—Se2A—Nb3A	60.77 (8)
Se1A—Nb2A—Nb2A^iii	125.65 (10)	Nb1A—Se2A—Nb3A	72.88 (7)
Se6A—Nb2A—Nb2A^iii	53.41 (6)	Se3A^i—Se2B—Nb1A	65.61 (8)
Se6A^iii—Nb2A—Nb2A^iii	53.18 (6)	Se3A^i—Se2B—Nb3A^i	60.64 (8)
Se5A^iii—Nb2A—Nb2A^iii	53.67 (6)	Nb1A—Se2B—Nb3A^i	72.67 (7)
Se5A—Nb2A—Nb2A^iii	53.62 (6)	Se3D—Se2C—Nb1C	65.60 (8)
Se4A—Nb2A—Nb2A^iii	129.41 (9)	Se3D—Se2C—Nb3C	60.70 (8)
Se4B—Nb2A—Nb2A^iii	128.83 (9)	Nb1C—Se2C—Nb3C	72.75 (7)
Se1B—Nb2A—Nb3A	54.29 (6)	Se3C—Se2D—Nb1C	65.78 (9)
Se1A—Nb2A—Nb3A	54.35 (6)	Se3C—Se2D—Nb3C	60.89 (8)
Se6A—Nb2A—Nb3A	126.87 (7)	Nb1C—Se2D—Nb3C	72.90 (7)
Se6A^iii—Nb2A—Nb3A	126.54 (7)	Se2B^i—Se3A—Nb3A	66.65 (8)
Se5A^iii—Nb2A—Nb3A	126.01 (8)	Se2B^i—Se3A—Nb1A	61.54 (7)
Se5A—Nb2A—Nb3A	126.70 (8)	Nb3A—Se3A—Nb1A	73.38 (8)
Se4A—Nb2A—Nb3A	50.92 (5)	Se2A^i—Se3B—Nb3A^i	66.36 (8)
Se4B—Nb2A—Nb3A	50.84 (5)	Se2A^i—Se3B—Nb1A	61.50 (7)
Nb2A^iii—Nb2A—Nb3A	179.64 (10)	Nb3A^i—Se3B—Nb1A	73.45 (8)
Se1C—Nb2C—Se1D	108.55 (8)	Se2D—Se3C—Nb3C	66.44 (8)
Se1C—Nb2C—Se6C	86.23 (8)	Se2D—Se3C—Nb1C	61.45 (9)
Se1D—Nb2C—Se6C	140.00 (9)	Nb3C—Se3C—Nb1C	73.35 (6)
Se1C—Nb2C—Se6C^iv	140.10 (9)	Se2C—Se3D—Nb3C	66.62 (8)
Se1D—Nb2C—Se6C^iv	85.89 (8)	Se2C—Se3D—Nb1C	61.61 (9)
Se6C—Nb2C—Se6C^iv	106.60 (7)	Nb3C—Se3D—Nb1C	73.46 (6)
Se1C—Nb2C—Se5C^iv	93.00 (8)	Se1A—Se4A—Nb3A	66.11 (8)
Se1D—Nb2C—Se5C^iv	129.77 (10)	Se1A—Se4A—Nb2A	61.26 (8)
Se6C—Nb2C—Se5C^iv	84.36 (8)	Nb3A—Se4A—Nb2A	74.90 (7)
Se6C^iv—Nb2C—Se5C^iv	52.51 (7)	Se1B—Se4B—Nb3A	66.09 (8)
Se1C—Nb2C—Se5C	129.99 (10)	Se1B—Se4B—Nb2A	61.11 (8)
Se1D—Nb2C—Se5C	92.78 (8)	Nb3A—Se4B—Nb2A	74.80 (7)
Se6C—Nb2C—Se5C	52.49 (7)	Se1C—Se4C—Nb3C	65.88 (8)
Se6C^iv—Nb2C—Se5C	84.28 (8)	Se1C—Se4C—Nb2C	61.28 (8)
Se5C^iv—Nb2C—Se5C	107.37 (7)	Nb3C—Se4C—Nb2C	74.92 (8)
Se1C—Nb2C—Se4C	53.13 (7)	Se1D—Se4D—Nb3C	66.41 (8)
Se1D—Nb2C—Se4C	82.16 (8)	Se1D—Se4D—Nb2C	61.29 (8)
Se6C—Nb2C—Se4C	77.78 (8)	Nb3C—Se4D—Nb2C	74.99 (8)
Se6C^iv—Nb2C—Se4C	165.24 (9)	Se6A—Se5A—Nb2A^iii	63.41 (8)
Se5C^iv—Nb2C—Se4C	142.16 (9)	Se6A—Se5A—Nb2A	63.17 (8)
Se5C—Nb2C—Se4C	87.67 (8)	Nb2A^iii—Se5A—Nb2A	72.71 (7)
Se1C—Nb2C—Se4D	82.08 (8)	Se6C—Se5C—Nb2C^iv	63.26 (8)
Se1D—Nb2C—Se4D	53.09 (7)	Se6C—Se5C—Nb2C	63.19 (8)
Se6C—Nb2C—Se4D	165.48 (9)	Nb2C^iv—Se5C—Nb2C	72.63 (7)
Se6C^iv—Nb2C—Se4D	77.64 (8)	Se5A—Se6A—Nb2A	64.33 (8)
Se5C^iv—Nb2C—Se4D	87.67 (8)	Se5A—Se6A—Nb2A^iii	64.15 (8)
Se5C—Nb2C—Se4D	141.93 (9)	Nb2A—Se6A—Nb2A^iii	73.40 (7)
Se4C—Nb2C—Se4D	101.69 (7)	Se5C—Se6C—Nb2C	64.33 (8)
Se1C—Nb2C—Nb2C^iv	125.94 (9)	Se5C—Se6C—Nb2C^iv	64.23 (8)
Se1D—Nb2C—Nb2C^iv	125.51 (9)	Nb2C—Se6C—Nb2C^iv	73.40 (7)
Se2A^i—Nb1A—Nb3A—Se3B^i	−47.99 (12)	Se2C—Nb3C—Se1D—Nb2C	94.8 (3)
Se2A—Nb1A—Nb3A—Se3B^i	67.27 (9)	Nb1C—Nb3C—Se1D—Nb2C	−179.96 (10)
Se2B^i—Nb1A—Nb3A—Se3B^i	−112.60 (9)	Se2A^i—Nb1A—Se2A—Se3B^i	44.82 (6)
Se2B—Nb1A—Nb3A—Se3B^i	131.93 (12)	Se2B^i—Nb1A—Se2A—Se3B^i	−64.98 (10)
Se3B—Nb1A—Nb3A—Se3B^i	19.31 (13)	Se2B—Nb1A—Se2A—Se3B^i	163.05 (10)
Se3A—Nb1A—Nb3A—Se3B^i	−179.63 (9)	Se3B—Nb1A—Se2A—Se3B^i	79.17 (11)
Se3A^i—Nb1A—Nb3A—Se3B^i	−161.06 (8)	Se3A—Nb1A—Se2A—Se3B^i	−111.59 (8)
Nb3A^i—Nb1A—Nb3A—Se3B^i	−170 (100)	Se3A^i—Nb1A—Se2A—Se3B^i	−174.87 (14)
Se2A^i—Nb1A—Nb3A—Se3A	131.64 (13)	Nb3A—Nb1A—Se2A—Se3B^i	−65.09 (7)
Se2A—Nb1A—Nb3A—Se3A	−113.09 (9)	Nb3A^i—Nb1A—Se2A—Se3B^i	114.95 (12)
Se2B^i—Nb1A—Nb3A—Se3A	67.04 (9)	Se2A^i—Nb1A—Se2A—Nb3A	109.91 (6)
Se2B—Nb1A—Nb3A—Se3A	−48.44 (12)	Se2B^i—Nb1A—Se2A—Nb3A	0.11 (10)
Se3B—Nb1A—Nb3A—Se3A	−161.05 (8)	Se2B—Nb1A—Se2A—Nb3A	−131.86 (9)
Se3B^i—Nb1A—Nb3A—Se3A	179.63 (9)	Se3B—Nb1A—Se2A—Nb3A	144.26 (8)
Se3A^i—Nb1A—Nb3A—Se3A	18.57 (13)	Se3B^i—Nb1A—Se2A—Nb3A	65.09 (7)
Nb3A^i—Nb1A—Nb3A—Se3A	9 (100)	Se3A—Nb1A—Se2A—Nb3A	−46.50 (7)
Se2A^i—Nb1A—Nb3A—Se4B	19.33 (18)	Se3A^i—Nb1A—Se2A—Nb3A	−109.78 (14)
Se2A—Nb1A—Nb3A—Se4B	134.59 (13)	Nb3A^i—Nb1A—Se2A—Nb3A	−179.96 (12)
Se2B^i—Nb1A—Nb3A—Se4B	−45.28 (12)	Se3A—Nb3A—Se2A—Se3B^i	120.30 (9)
Se2B—Nb1A—Nb3A—Se4B	−160.75 (12)	Se4B—Nb3A—Se2A—Se3B^i	−29.78 (15)
Se3B—Nb1A—Nb3A—Se4B	86.63 (12)	Se4A—Nb3A—Se2A—Se3B^i	−144.47 (10)
Se3B^i—Nb1A—Nb3A—Se4B	67.32 (12)	Se1B—Nb3A—Se2A—Se3B^i	171.4 (3)
Se3A—Nb1A—Nb3A—Se4B	−112.32 (12)	Se1A—Nb3A—Se2A—Se3B^i	−90.91 (9)
Se3A^i—Nb1A—Nb3A—Se4B	−93.75 (13)	Se2B^i—Nb3A—Se2A—Se3B^i	71.01 (9)
Nb3A^i—Nb1A—Nb3A—Se4B	−103 (100)	Nb1A—Nb3A—Se2A—Se3B^i	71.11 (9)
Se2A^i—Nb1A—Nb3A—Se4A	−160.67 (12)	Nb2A—Nb3A—Se2A—Se3B^i	−109.02 (11)
Se2A—Nb1A—Nb3A—Se4A	−45.41 (12)	Se3B^i—Nb3A—Se2A—Nb1A	−71.11 (9)
Se2B^i—Nb1A—Nb3A—Se4A	134.72 (13)	Se3A—Nb3A—Se2A—Nb1A	49.19 (8)
Se2B—Nb1A—Nb3A—Se4A	19.25 (17)	Se4B—Nb3A—Se2A—Nb1A	−100.89 (15)
Se3B—Nb1A—Nb3A—Se4A	−93.37 (12)	Se4A—Nb3A—Se2A—Nb1A	144.42 (9)
Se3B^i—Nb1A—Nb3A—Se4A	−112.68 (12)	Se1B—Nb3A—Se2A—Nb1A	100.3 (3)
Se3A—Nb1A—Nb3A—Se4A	67.68 (12)	Se1A—Nb3A—Se2A—Nb1A	−162.02 (9)
Se3A^i—Nb1A—Nb3A—Se4A	86.25 (11)	Se2B^i—Nb3A—Se2A—Nb1A	−0.10 (9)
Nb3A^i—Nb1A—Nb3A—Se4A	77 (100)	Nb2A—Nb3A—Se2A—Nb1A	179.87 (10)
Se2A^i—Nb1A—Nb3A—Se1B	87.97 (16)	Se2A^i—Nb1A—Se2B—Se3A^i	−65.12 (10)
Se2A—Nb1A—Nb3A—Se1B	−156.77 (12)	Se2A—Nb1A—Se2B—Se3A^i	162.90 (10)
Se2B^i—Nb1A—Nb3A—Se1B	23.36 (11)	Se2B^i—Nb1A—Se2B—Se3A^i	44.68 (6)
Se2B—Nb1A—Nb3A—Se1B	−92.11 (12)	Se3B—Nb1A—Se2B—Se3A^i	−111.75 (8)
Se3B—Nb1A—Nb3A—Se1B	155.27 (10)	Se3B^i—Nb1A—Se2B—Se3A^i	−175.11 (14)
Se3B^i—Nb1A—Nb3A—Se1B	135.96 (12)	Se3A—Nb1A—Se2B—Se3A^i	78.88 (11)
Se3A—Nb1A—Nb3A—Se1B	−43.67 (10)	Nb3A—Nb1A—Se2B—Se3A^i	114.95 (12)
Se3A^i—Nb1A—Nb3A—Se1B	−25.10 (13)	Nb3A^i—Nb1A—Se2B—Se3A^i	−65.01 (7)
Nb3A^i—Nb1A—Nb3A—Se1B	−34 (100)	Se2A^i—Nb1A—Se2B—Nb3A^i	−0.11 (10)
Se2A^i—Nb1A—Nb3A—Se2A	−115.26 (17)	Se2A—Nb1A—Se2B—Nb3A^i	−132.09 (9)
Se2B^i—Nb1A—Nb3A—Se2A	−179.87 (11)	Se2B^i—Nb1A—Se2B—Nb3A^i	109.69 (6)
Se2B—Nb1A—Nb3A—Se2A	64.66 (11)	Se3B—Nb1A—Se2B—Nb3A^i	−46.75 (7)
Se3B—Nb1A—Nb3A—Se2A	−47.96 (9)	Se3B^i—Nb1A—Se2B—Nb3A^i	−110.10 (14)
Se3B^i—Nb1A—Nb3A—Se2A	−67.27 (9)	Se3A—Nb1A—Se2B—Nb3A^i	143.89 (8)
Se3A—Nb1A—Nb3A—Se2A	113.09 (9)	Se3A^i—Nb1A—Se2B—Nb3A^i	65.01 (7)
Se3A^i—Nb1A—Nb3A—Se2A	131.66 (10)	Nb3A—Nb1A—Se2B—Nb3A^i	179.96 (12)
Nb3A^i—Nb1A—Nb3A—Se2A	122 (100)	Se2D—Nb1C—Se2C—Se3D	−64.90 (10)
Se2A^i—Nb1A—Nb3A—Se1A	−92.43 (13)	Se2D^ii—Nb1C—Se2C—Se3D	45.17 (12)
Se2A—Nb1A—Nb3A—Se1A	22.83 (11)	Se2C^ii—Nb1C—Se2C—Se3D	163.30 (9)
Se2B^i—Nb1A—Nb3A—Se1A	−157.04 (12)	Se3D^ii—Nb1C—Se2C—Se3D	−175.10 (6)
Se2B—Nb1A—Nb3A—Se1A	87.49 (15)	Se3C—Nb1C—Se2C—Se3D	−111.55 (9)
Se3B—Nb1A—Nb3A—Se1A	−25.13 (13)	Se3C^ii—Nb1C—Se2C—Se3D	79.13 (8)
Se3B^i—Nb1A—Nb3A—Se1A	−44.44 (10)	Nb3C^ii—Nb1C—Se2C—Se3D	115.11 (9)
Se3A—Nb1A—Nb3A—Se1A	135.93 (12)	Nb3C—Nb1C—Se2C—Se3D	−65.05 (8)
Se3A^i—Nb1A—Nb3A—Se1A	154.50 (10)	Se2D—Nb1C—Se2C—Nb3C	0.15 (9)
Nb3A^i—Nb1A—Nb3A—Se1A	145 (100)	Se2D^ii—Nb1C—Se2C—Nb3C	110.22 (11)
Se2A^i—Nb1A—Nb3A—Se2B^i	64.61 (11)	Se2C^ii—Nb1C—Se2C—Nb3C	−131.65 (8)
Se2A—Nb1A—Nb3A—Se2B^i	179.87 (11)	Se3D^ii—Nb1C—Se2C—Nb3C	−110.05 (10)
Se2B—Nb1A—Nb3A—Se2B^i	−115.47 (17)	Se3D—Nb1C—Se2C—Nb3C	65.05 (8)
Se3B—Nb1A—Nb3A—Se2B^i	131.91 (10)	Se3C—Nb1C—Se2C—Nb3C	−46.50 (7)
Se3B^i—Nb1A—Nb3A—Se2B^i	112.60 (9)	Se3C^ii—Nb1C—Se2C—Nb3C	144.18 (8)
Se3A—Nb1A—Nb3A—Se2B^i	−67.04 (9)	Nb3C^ii—Nb1C—Se2C—Nb3C	−179.84 (7)
Se3A^i—Nb1A—Nb3A—Se2B^i	−48.47 (9)	Se4D—Nb3C—Se2C—Se3D	−29.39 (16)
Nb3A^i—Nb1A—Nb3A—Se2B^i	−58 (100)	Se3C—Nb3C—Se2C—Se3D	120.36 (9)
Se2A^i—Nb1A—Nb3A—Nb2A	−135 (16)	Se4C—Nb3C—Se2C—Se3D	−144.31 (9)
Se2A—Nb1A—Nb3A—Nb2A	−19 (16)	Se1C—Nb3C—Se2C—Se3D	−90.78 (8)
Se2B^i—Nb1A—Nb3A—Nb2A	161 (16)	Se2D—Nb3C—Se2C—Se3D	71.09 (9)
Se2B—Nb1A—Nb3A—Nb2A	45 (16)	Se1D—Nb3C—Se2C—Se3D	170.9 (3)
Se3B—Nb1A—Nb3A—Nb2A	−67 (16)	Nb1C—Nb3C—Se2C—Se3D	71.23 (8)
Se3B^i—Nb1A—Nb3A—Nb2A	−87 (16)	Nb2C—Nb3C—Se2C—Se3D	−108.72 (10)
Se3A—Nb1A—Nb3A—Nb2A	94 (16)	Se3D—Nb3C—Se2C—Nb1C	−71.23 (8)
Se3A^i—Nb1A—Nb3A—Nb2A	112 (16)	Se4D—Nb3C—Se2C—Nb1C	−100.61 (15)
Nb3A^i—Nb1A—Nb3A—Nb2A	103 (100)	Se3C—Nb3C—Se2C—Nb1C	49.14 (7)
Se1B—Nb2A—Nb3A—Se3B^i	136.01 (11)	Se4C—Nb3C—Se2C—Nb1C	144.46 (8)
Se1A—Nb2A—Nb3A—Se3B^i	−44.06 (11)	Se1C—Nb3C—Se2C—Nb1C	−162.01 (8)
Se6A—Nb2A—Nb3A—Se3B^i	−93.93 (13)	Se2D—Nb3C—Se2C—Nb1C	−0.14 (8)
Se6A^iii—Nb2A—Nb3A—Se3B^i	85.74 (13)	Se1D—Nb3C—Se2C—Nb1C	99.6 (3)
Se5A^iii—Nb2A—Nb3A—Se3B^i	19.28 (14)	Nb2C—Nb3C—Se2C—Nb1C	−179.95 (9)
Se5A—Nb2A—Nb3A—Se3B^i	−160.96 (11)	Se2D^ii—Nb1C—Se2D—Se3C	162.72 (9)
Se4A—Nb2A—Nb3A—Se3B^i	−112.56 (12)	Se2C^ii—Nb1C—Se2D—Se3C	44.36 (12)
Se4B—Nb2A—Nb3A—Se3B^i	67.63 (11)	Se2C—Nb1C—Se2D—Se3C	−65.33 (9)
Nb2A^iii—Nb2A—Nb3A—Se3B^i	47 (18)	Se3D^ii—Nb1C—Se2D—Se3C	78.86 (8)
Se1B—Nb2A—Nb3A—Se3A	−44.06 (11)	Se3D—Nb1C—Se2D—Se3C	−111.81 (8)
Se1A—Nb2A—Nb3A—Se3A	135.88 (11)	Se3C^ii—Nb1C—Se2D—Se3C	−174.91 (6)
Se6A—Nb2A—Nb3A—Se3A	86.01 (13)	Nb3C^ii—Nb1C—Se2D—Se3C	114.66 (9)
Se6A^iii—Nb2A—Nb3A—Se3A	−94.33 (13)	Nb3C—Nb1C—Se2D—Se3C	−65.18 (7)
Se5A^iii—Nb2A—Nb3A—Se3A	−160.78 (10)	Se2D^ii—Nb1C—Se2D—Nb3C	−132.09 (8)
Se5A—Nb2A—Nb3A—Se3A	18.98 (14)	Se2C^ii—Nb1C—Se2D—Nb3C	109.54 (11)
Se4A—Nb2A—Nb3A—Se3A	67.37 (11)	Se2C—Nb1C—Se2D—Nb3C	−0.15 (9)
Se4B—Nb2A—Nb3A—Se3A	−112.43 (12)	Se3D^ii—Nb1C—Se2D—Nb3C	144.04 (8)
Nb2A^iii—Nb2A—Nb3A—Se3A	−133 (18)	Se3D—Nb1C—Se2D—Nb3C	−46.63 (7)
Se1B—Nb2A—Nb3A—Se4B	68.38 (9)	Se3C—Nb1C—Se2D—Nb3C	65.18 (7)
Se1A—Nb2A—Nb3A—Se4B	−111.69 (10)	Se3C^ii—Nb1C—Se2D—Nb3C	−109.73 (10)
Se6A—Nb2A—Nb3A—Se4B	−161.56 (13)	Nb3C^ii—Nb1C—Se2D—Nb3C	179.84 (7)
Se6A^iii—Nb2A—Nb3A—Se4B	18.11 (11)	Se3D—Nb3C—Se2D—Se3C	120.64 (9)
Se5A^iii—Nb2A—Nb3A—Se4B	−48.34 (11)	Se4D—Nb3C—Se2D—Se3C	−143.95 (9)
Se5A—Nb2A—Nb3A—Se4B	131.41 (12)	Se4C—Nb3C—Se2D—Se3C	−29.36 (15)
Se4A—Nb2A—Nb3A—Se4B	179.81 (12)	Se1C—Nb3C—Se2D—Se3C	170.4 (3)
Nb2A^iii—Nb2A—Nb3A—Se4B	−21 (18)	Se2C—Nb3C—Se2D—Se3C	71.48 (9)
Se1B—Nb2A—Nb3A—Se4A	−111.43 (10)	Se1D—Nb3C—Se2D—Se3C	−90.56 (9)
Se1A—Nb2A—Nb3A—Se4A	68.50 (9)	Nb1C—Nb3C—Se2D—Se3C	71.34 (8)
Se6A—Nb2A—Nb3A—Se4A	18.64 (11)	Nb2C—Nb3C—Se2D—Se3C	−108.71 (10)
Se6A^iii—Nb2A—Nb3A—Se4A	−161.70 (13)	Se3D—Nb3C—Se2D—Nb1C	49.31 (7)
Se5A^iii—Nb2A—Nb3A—Se4A	131.85 (12)	Se4D—Nb3C—Se2D—Nb1C	144.71 (8)
Se5A—Nb2A—Nb3A—Se4A	−48.40 (11)	Se3C—Nb3C—Se2D—Nb1C	−71.34 (8)
Se4B—Nb2A—Nb3A—Se4A	−179.81 (12)	Se4C—Nb3C—Se2D—Nb1C	−100.70 (14)
Nb2A^iii—Nb2A—Nb3A—Se4A	159 (18)	Se1C—Nb3C—Se2D—Nb1C	99.1 (3)
Se1A—Nb2A—Nb3A—Se1B	179.93 (10)	Se2C—Nb3C—Se2D—Nb1C	0.14 (8)
Se6A—Nb2A—Nb3A—Se1B	130.06 (13)	Se1D—Nb3C—Se2D—Nb1C	−161.89 (8)
Se6A^iii—Nb2A—Nb3A—Se1B	−50.27 (11)	Nb2C—Nb3C—Se2D—Nb1C	179.95 (9)
Se5A^iii—Nb2A—Nb3A—Se1B	−116.72 (11)	Se3B^i—Nb3A—Se3A—Se2B^i	−65.30 (10)
Se5A—Nb2A—Nb3A—Se1B	63.03 (11)	Se4B—Nb3A—Se3A—Se2B^i	46.43 (11)
Se4A—Nb2A—Nb3A—Se1B	111.43 (10)	Se4A—Nb3A—Se3A—Se2B^i	163.43 (9)
Se4B—Nb2A—Nb3A—Se1B	−68.38 (9)	Se1B—Nb3A—Se3A—Se2B^i	81.77 (8)
Nb2A^iii—Nb2A—Nb3A—Se1B	−89 (18)	Se2A—Nb3A—Se3A—Se2B^i	−112.32 (8)
Se1B—Nb2A—Nb3A—Se2A	−156.86 (12)	Se1A—Nb3A—Se3A—Se2B^i	−174.62 (16)
Se1A—Nb2A—Nb3A—Se2A	23.08 (11)	Nb1A—Nb3A—Se3A—Se2B^i	−65.62 (6)
Se6A—Nb2A—Nb3A—Se2A	−26.79 (16)	Nb2A—Nb3A—Se3A—Se2B^i	114.75 (10)
Se6A^iii—Nb2A—Nb3A—Se2A	152.87 (11)	Se3B^i—Nb3A—Se3A—Nb1A	0.32 (8)
Se5A^iii—Nb2A—Nb3A—Se2A	86.42 (13)	Se4B—Nb3A—Se3A—Nb1A	112.05 (10)
Se5A—Nb2A—Nb3A—Se2A	−93.82 (13)	Se4A—Nb3A—Se3A—Nb1A	−130.96 (7)
Se4A—Nb2A—Nb3A—Se2A	−45.43 (11)	Se1B—Nb3A—Se3A—Nb1A	147.39 (7)
Se4B—Nb2A—Nb3A—Se2A	134.77 (13)	Se2A—Nb3A—Se3A—Nb1A	−46.70 (6)
Nb2A^iii—Nb2A—Nb3A—Se2A	114 (18)	Se1A—Nb3A—Se3A—Nb1A	−109.01 (15)
Se1B—Nb2A—Nb3A—Se1A	−179.93 (10)	Se2B^i—Nb3A—Se3A—Nb1A	65.62 (6)
Se6A—Nb2A—Nb3A—Se1A	−49.87 (11)	Nb2A—Nb3A—Se3A—Nb1A	−179.63 (8)
Se6A^iii—Nb2A—Nb3A—Se1A	129.80 (13)	Se2A^i—Nb1A—Se3A—Se2B^i	−28.12 (14)
Se5A^iii—Nb2A—Nb3A—Se1A	63.34 (11)	Se2A—Nb1A—Se3A—Se2B^i	121.41 (9)
Se5A—Nb2A—Nb3A—Se1A	−116.90 (12)	Se2B—Nb1A—Se3A—Se2B^i	−146.16 (9)
Se4A—Nb2A—Nb3A—Se1A	−68.50 (9)	Se3B—Nb1A—Se3A—Se2B^i	168.0 (4)
Se4B—Nb2A—Nb3A—Se1A	111.69 (10)	Se3B^i—Nb1A—Se3A—Se2B^i	71.72 (8)
Nb2A^iii—Nb2A—Nb3A—Se1A	91 (18)	Se3A^i—Nb1A—Se3A—Se2B^i	−93.21 (9)
Se1B—Nb2A—Nb3A—Se2B^i	23.11 (11)	Nb3A—Nb1A—Se3A—Se2B^i	72.01 (8)
Se1A—Nb2A—Nb3A—Se2B^i	−156.95 (12)	Nb3A^i—Nb1A—Se3A—Se2B^i	−107.98 (8)
Se6A—Nb2A—Nb3A—Se2B^i	153.18 (11)	Se2A^i—Nb1A—Se3A—Nb3A	−100.14 (13)
Se6A^iii—Nb2A—Nb3A—Se2B^i	−27.16 (16)	Se2A—Nb1A—Se3A—Nb3A	49.40 (7)
Se5A^iii—Nb2A—Nb3A—Se2B^i	−93.61 (13)	Se2B^i—Nb1A—Se3A—Nb3A	−72.01 (8)
Se5A—Nb2A—Nb3A—Se2B^i	86.15 (13)	Se2B—Nb1A—Se3A—Nb3A	141.83 (8)
Se4A—Nb2A—Nb3A—Se2B^i	134.54 (13)	Se3B—Nb1A—Se3A—Nb3A	96.0 (4)
Se4B—Nb2A—Nb3A—Se2B^i	−45.26 (11)	Se3B^i—Nb1A—Se3A—Nb3A	−0.30 (8)
Nb2A^iii—Nb2A—Nb3A—Se2B^i	−66 (18)	Se3A^i—Nb1A—Se3A—Nb3A	−165.22 (10)
Se1B—Nb2A—Nb3A—Nb1A	−137 (16)	Nb3A^i—Nb1A—Se3A—Nb3A	−179.99 (2)
Se1A—Nb2A—Nb3A—Nb1A	42 (16)	Se2A—Nb1A—Se3B—Se2A^i	−146.06 (9)
Se6A—Nb2A—Nb3A—Nb1A	−7 (16)	Se2B^i—Nb1A—Se3B—Se2A^i	−27.97 (14)
Se6A^iii—Nb2A—Nb3A—Nb1A	172 (100)	Se2B—Nb1A—Se3B—Se2A^i	121.50 (9)
Se5A^iii—Nb2A—Nb3A—Nb1A	106 (16)	Se3B^i—Nb1A—Se3B—Se2A^i	−93.00 (9)
Se5A—Nb2A—Nb3A—Nb1A	−74 (16)	Se3A—Nb1A—Se3B—Se2A^i	167.4 (4)
Se4A—Nb2A—Nb3A—Nb1A	−26 (16)	Se3A^i—Nb1A—Se3B—Se2A^i	71.96 (8)
Se4B—Nb2A—Nb3A—Nb1A	154 (16)	Nb3A—Nb1A—Se3B—Se2A^i	−108.35 (9)
Nb2A^iii—Nb2A—Nb3A—Nb1A	133 (19)	Nb3A^i—Nb1A—Se3B—Se2A^i	71.66 (8)
Se2D—Nb1C—Nb3C—Se3D	−112.81 (11)	Se2A^i—Nb1A—Se3B—Nb3A^i	−71.66 (8)
Se2D^ii—Nb1C—Nb3C—Se3D	−48.05 (10)	Se2A—Nb1A—Se3B—Nb3A^i	142.28 (8)
Se2C^ii—Nb1C—Nb3C—Se3D	131.94 (12)	Se2B^i—Nb1A—Se3B—Nb3A^i	−99.63 (14)
Se2C—Nb1C—Nb3C—Se3D	67.02 (9)	Se2B—Nb1A—Se3B—Nb3A^i	49.84 (7)
Se3D^ii—Nb1C—Nb3C—Se3D	−161.15 (19)	Se3B^i—Nb1A—Se3B—Nb3A^i	−164.66 (10)
Se3C—Nb1C—Nb3C—Se3D	−179.82 (12)	Se3A—Nb1A—Se3B—Nb3A^i	95.8 (4)
Se3C^ii—Nb1C—Nb3C—Se3D	19.06 (12)	Se3A^i—Nb1A—Se3B—Nb3A^i	0.29 (8)
Nb3C^ii—Nb1C—Nb3C—Se3D	99.52 (19)	Nb3A—Nb1A—Se3B—Nb3A^i	179.99 (2)
Se2D—Nb1C—Nb3C—Se4D	−45.16 (10)	Nb1C—Se2D—Se3C—Nb3C	83.19 (6)
Se2D^ii—Nb1C—Nb3C—Se4D	19.60 (13)	Nb3C—Se2D—Se3C—Nb1C	−83.19 (6)
Se2C^ii—Nb1C—Nb3C—Se4D	−160.41 (11)	Se3D—Nb3C—Se3C—Se2D	−65.40 (10)
Se2C—Nb1C—Nb3C—Se4D	134.67 (12)	Se4D—Nb3C—Se3C—Se2D	46.35 (11)
Se3D^ii—Nb1C—Nb3C—Se4D	−93.49 (15)	Se4C—Nb3C—Se3C—Se2D	163.20 (9)
Se3D—Nb1C—Nb3C—Se4D	67.65 (11)	Se1C—Nb3C—Se3C—Se2D	−174.82 (14)
Se3C—Nb1C—Nb3C—Se4D	−112.17 (12)	Se2C—Nb3C—Se3C—Se2D	−112.23 (9)
Se3C^ii—Nb1C—Nb3C—Se4D	86.71 (16)	Se1D—Nb3C—Se3C—Se2D	81.60 (9)
Nb3C^ii—Nb1C—Nb3C—Se4D	167.17 (15)	Nb1C—Nb3C—Se3C—Se2D	−65.55 (9)
Se2D—Nb1C—Nb3C—Se3C	67.01 (9)	Nb2C—Nb3C—Se3C—Se2D	114.43 (10)
Se2D^ii—Nb1C—Nb3C—Se3C	131.77 (12)	Se3D—Nb3C—Se3C—Nb1C	0.15 (10)
Se2C^ii—Nb1C—Nb3C—Se3C	−48.24 (10)	Se4D—Nb3C—Se3C—Nb1C	111.91 (11)
Se2C—Nb1C—Nb3C—Se3C	−113.16 (11)	Se4C—Nb3C—Se3C—Nb1C	−131.25 (9)
Se3D^ii—Nb1C—Nb3C—Se3C	18.68 (13)	Se1C—Nb3C—Se3C—Nb1C	−109.27 (15)
Se3D—Nb1C—Nb3C—Se3C	179.82 (12)	Se2D—Nb3C—Se3C—Nb1C	65.55 (9)
Se3C^ii—Nb1C—Nb3C—Se3C	−161.12 (18)	Se2C—Nb3C—Se3C—Nb1C	−46.67 (8)
Nb3C^ii—Nb1C—Nb3C—Se3C	−80.66 (15)	Se1D—Nb3C—Se3C—Nb1C	147.15 (9)
Se2D—Nb1C—Nb3C—Se4C	134.57 (12)	Nb2C—Nb3C—Se3C—Nb1C	179.98 (10)
Se2D^ii—Nb1C—Nb3C—Se4C	−160.66 (11)	Se2D^ii—Nb1C—Se3C—Se2D	−28.52 (15)
Se2C^ii—Nb1C—Nb3C—Se4C	19.33 (13)	Se2C^ii—Nb1C—Se3C—Se2D	−146.29 (9)
Se2C—Nb1C—Nb3C—Se4C	−45.60 (10)	Se2C—Nb1C—Se3C—Se2D	121.26 (8)
Se3D^ii—Nb1C—Nb3C—Se4C	86.24 (16)	Se3D^ii—Nb1C—Se3C—Se2D	−93.35 (9)
Se3D—Nb1C—Nb3C—Se4C	−112.61 (12)	Se3D—Nb1C—Se3C—Se2D	71.67 (10)
Se3C—Nb1C—Nb3C—Se4C	67.56 (11)	Se3C^ii—Nb1C—Se3C—Se2D	167.53 (6)
Se3C^ii—Nb1C—Nb3C—Se4C	−93.56 (14)	Nb3C^ii—Nb1C—Se3C—Se2D	−108.50 (13)
Nb3C^ii—Nb1C—Nb3C—Se4C	−13.09 (18)	Nb3C—Nb1C—Se3C—Se2D	71.81 (8)
Se2D—Nb1C—Nb3C—Se1C	−156.90 (13)	Se2D—Nb1C—Se3C—Nb3C	−71.81 (8)
Se2D^ii—Nb1C—Nb3C—Se1C	−92.14 (14)	Se2D^ii—Nb1C—Se3C—Nb3C	−100.33 (11)
Se2C^ii—Nb1C—Nb3C—Se1C	87.85 (12)	Se2C^ii—Nb1C—Se3C—Nb3C	141.90 (9)
Se2C—Nb1C—Nb3C—Se1C	22.93 (11)	Se2C—Nb1C—Se3C—Nb3C	49.45 (8)
Se3D^ii—Nb1C—Nb3C—Se1C	154.77 (13)	Se3D^ii—Nb1C—Se3C—Nb3C	−165.16 (10)
Se3D—Nb1C—Nb3C—Se1C	−44.08 (12)	Se3D—Nb1C—Se3C—Nb3C	−0.14 (10)
Se3C—Nb1C—Nb3C—Se1C	136.09 (13)	Se3C^ii—Nb1C—Se3C—Nb3C	95.73 (6)
Se3C^ii—Nb1C—Nb3C—Se1C	−25.03 (19)	Nb3C^ii—Nb1C—Se3C—Nb3C	179.70 (14)
Nb3C^ii—Nb1C—Nb3C—Se1C	55.4 (2)	Nb1C—Se2C—Se3D—Nb3C	83.17 (6)
Se2D^ii—Nb1C—Nb3C—Se2D	64.76 (14)	Nb3C—Se2C—Se3D—Nb1C	−83.17 (6)
Se2C^ii—Nb1C—Nb3C—Se2D	−115.25 (9)	Se4D—Nb3C—Se3D—Se2C	163.19 (9)
Se2C—Nb1C—Nb3C—Se2D	179.83 (10)	Se3C—Nb3C—Se3D—Se2C	−65.83 (10)
Se3D^ii—Nb1C—Nb3C—Se2D	−48.33 (13)	Se4C—Nb3C—Se3D—Se2C	46.15 (11)
Se3D—Nb1C—Nb3C—Se2D	112.81 (11)	Se1C—Nb3C—Se3D—Se2C	81.28 (9)
Se3C—Nb1C—Nb3C—Se2D	−67.01 (9)	Se2D—Nb3C—Se3D—Se2C	−112.47 (8)
Se3C^ii—Nb1C—Nb3C—Se2D	131.87 (15)	Se1D—Nb3C—Se3D—Se2C	−175.11 (14)
Nb3C^ii—Nb1C—Nb3C—Se2D	−147.67 (13)	Nb1C—Nb3C—Se3D—Se2C	−65.67 (9)
Se2D—Nb1C—Nb3C—Se2C	−179.83 (10)	Nb2C—Nb3C—Se3D—Se2C	114.34 (10)
Se2D^ii—Nb1C—Nb3C—Se2C	−115.07 (10)	Se4D—Nb3C—Se3D—Nb1C	−131.13 (9)
Se2C^ii—Nb1C—Nb3C—Se2C	64.92 (14)	Se3C—Nb3C—Se3D—Nb1C	−0.15 (10)
Se3D^ii—Nb1C—Nb3C—Se2C	131.84 (15)	Se4C—Nb3C—Se3D—Nb1C	111.83 (11)
Se3D—Nb1C—Nb3C—Se2C	−67.02 (9)	Se1C—Nb3C—Se3D—Nb1C	146.95 (9)
Se3C—Nb1C—Nb3C—Se2C	113.16 (11)	Se2D—Nb3C—Se3D—Nb1C	−46.80 (8)
Se3C^ii—Nb1C—Nb3C—Se2C	−47.96 (13)	Se2C—Nb3C—Se3D—Nb1C	65.67 (9)
Nb3C^ii—Nb1C—Nb3C—Se2C	32.50 (18)	Se1D—Nb3C—Se3D—Nb1C	−109.44 (15)
Se2D—Nb1C—Nb3C—Se1D	23.13 (11)	Nb2C—Nb3C—Se3D—Nb1C	−179.98 (10)
Se2D^ii—Nb1C—Nb3C—Se1D	87.90 (11)	Se2D—Nb1C—Se3D—Se2C	121.54 (8)
Se2C^ii—Nb1C—Nb3C—Se1D	−92.11 (14)	Se2D^ii—Nb1C—Se3D—Se2C	−145.75 (9)
Se2C—Nb1C—Nb3C—Se1D	−157.04 (13)	Se2C^ii—Nb1C—Se3D—Se2C	−27.51 (16)
Se3D^ii—Nb1C—Nb3C—Se1D	−25.20 (19)	Se3D^ii—Nb1C—Se3D—Se2C	167.97 (7)
Se3D—Nb1C—Nb3C—Se1D	135.95 (13)	Se3C—Nb1C—Se3D—Se2C	72.08 (10)
Se3C—Nb1C—Nb3C—Se1D	−43.88 (12)	Se3C^ii—Nb1C—Se3D—Se2C	−92.89 (9)
Se3C^ii—Nb1C—Nb3C—Se1D	155.00 (12)	Nb3C^ii—Nb1C—Se3D—Se2C	−107.76 (13)
Nb3C^ii—Nb1C—Nb3C—Se1D	−124.53 (18)	Nb3C—Nb1C—Se3D—Se2C	71.94 (8)
Se2D—Nb1C—Nb3C—Nb2C	−92 (100)	Se2D—Nb1C—Se3D—Nb3C	49.60 (8)
Se2D^ii—Nb1C—Nb3C—Nb2C	−27 (100)	Se2D^ii—Nb1C—Se3D—Nb3C	142.31 (9)
Se2C^ii—Nb1C—Nb3C—Nb2C	153 (100)	Se2C^ii—Nb1C—Se3D—Nb3C	−99.45 (11)
Se2C—Nb1C—Nb3C—Nb2C	88 (100)	Se2C—Nb1C—Se3D—Nb3C	−71.94 (8)
Se3D^ii—Nb1C—Nb3C—Nb2C	−140 (100)	Se3D^ii—Nb1C—Se3D—Nb3C	96.04 (6)
Se3D—Nb1C—Nb3C—Nb2C	21 (100)	Se3C—Nb1C—Se3D—Nb3C	0.14 (10)
Se3C—Nb1C—Nb3C—Nb2C	−159 (100)	Se3C^ii—Nb1C—Se3D—Nb3C	−164.83 (10)
Se3C^ii—Nb1C—Nb3C—Nb2C	40 (100)	Nb3C^ii—Nb1C—Se3D—Nb3C	−179.70 (14)
Nb3C^ii—Nb1C—Nb3C—Nb2C	120 (100)	Nb2A—Se1A—Se4A—Nb3A	85.29 (7)
Se1C—Nb2C—Nb3C—Se3D	−44.12 (11)	Nb3A—Se1A—Se4A—Nb2A	−85.29 (7)
Se1D—Nb2C—Nb3C—Se3D	135.97 (13)	Se3B^i—Nb3A—Se4A—Se1A	45.69 (11)
Se6C—Nb2C—Nb3C—Se3D	−94.14 (13)	Se3A—Nb3A—Se4A—Se1A	164.43 (9)
Se6C^iv—Nb2C—Nb3C—Se3D	85.81 (13)	Se4B—Nb3A—Se4A—Se1A	−65.00 (10)
Se5C^iv—Nb2C—Nb3C—Se3D	19.13 (15)	Se1B—Nb3A—Se4A—Se1A	−111.90 (8)
Se5C—Nb2C—Nb3C—Se3D	−160.98 (11)	Se2A—Nb3A—Se4A—Se1A	80.74 (8)
Se4C—Nb2C—Nb3C—Se3D	−112.64 (12)	Se2B^i—Nb3A—Se4A—Se1A	−172.84 (14)
Se4D—Nb2C—Nb3C—Se3D	67.66 (11)	Nb1A—Nb3A—Se4A—Se1A	114.99 (11)
Nb2C^iv—Nb2C—Nb3C—Se3D	69 (59)	Nb2A—Nb3A—Se4A—Se1A	−64.84 (8)
Se1C—Nb2C—Nb3C—Se4D	−111.78 (10)	Se3B^i—Nb3A—Se4A—Nb2A	110.53 (10)
Se1D—Nb2C—Nb3C—Se4D	68.31 (9)	Se3A—Nb3A—Se4A—Nb2A	−130.73 (8)
Se6C—Nb2C—Nb3C—Se4D	−161.80 (12)	Se4B—Nb3A—Se4A—Nb2A	−0.17 (10)
Se6C^iv—Nb2C—Nb3C—Se4D	18.15 (10)	Se1B—Nb3A—Se4A—Nb2A	−47.06 (7)
Se5C^iv—Nb2C—Nb3C—Se4D	−48.53 (11)	Se2A—Nb3A—Se4A—Nb2A	145.58 (8)
Se5C—Nb2C—Nb3C—Se4D	131.36 (12)	Se1A—Nb3A—Se4A—Nb2A	64.84 (8)
Se4C—Nb2C—Nb3C—Se4D	179.70 (10)	Se2B^i—Nb3A—Se4A—Nb2A	−108.00 (14)
Nb2C^iv—Nb2C—Nb3C—Se4D	1 (59)	Nb1A—Nb3A—Se4A—Nb2A	179.83 (10)
Se1C—Nb2C—Nb3C—Se3C	136.07 (13)	Se1B—Nb2A—Se4A—Se1A	120.44 (9)
Se1D—Nb2C—Nb3C—Se3C	−43.84 (11)	Se6A—Nb2A—Se4A—Se1A	−94.14 (9)
Se6C—Nb2C—Nb3C—Se3C	86.05 (13)	Se6A^iii—Nb2A—Se4A—Se1A	156.5 (3)
Se6C^iv—Nb2C—Nb3C—Se3C	−93.99 (13)	Se5A^iii—Nb2A—Se4A—Se1A	−30.21 (14)
Se5C^iv—Nb2C—Nb3C—Se3C	−160.67 (11)	Se5A—Nb2A—Se4A—Se1A	−146.16 (9)
Se5C—Nb2C—Nb3C—Se3C	19.21 (16)	Se4B—Nb2A—Se4A—Se1A	70.86 (9)
Se4C—Nb2C—Nb3C—Se3C	67.55 (11)	Nb2A^iii—Nb2A—Se4A—Se1A	−109.13 (14)
Se4D—Nb2C—Nb3C—Se3C	−112.14 (12)	Nb3A—Nb2A—Se4A—Se1A	70.71 (8)
Nb2C^iv—Nb2C—Nb3C—Se3C	−111 (59)	Se1B—Nb2A—Se4A—Nb3A	49.74 (8)
Se1C—Nb2C—Nb3C—Se4C	68.52 (10)	Se1A—Nb2A—Se4A—Nb3A	−70.71 (8)
Se1D—Nb2C—Nb3C—Se4C	−111.39 (10)	Se6A—Nb2A—Se4A—Nb3A	−164.84 (9)
Se6C—Nb2C—Nb3C—Se4C	18.50 (10)	Se6A^iii—Nb2A—Se4A—Nb3A	85.8 (3)
Se6C^iv—Nb2C—Nb3C—Se4C	−161.54 (11)	Se5A^iii—Nb2A—Se4A—Nb3A	−100.92 (14)
Se5C^iv—Nb2C—Nb3C—Se4C	131.77 (12)	Se5A—Nb2A—Se4A—Nb3A	143.13 (9)
Se5C—Nb2C—Nb3C—Se4C	−48.34 (11)	Se4B—Nb2A—Se4A—Nb3A	0.15 (9)
Se4D—Nb2C—Nb3C—Se4C	−179.70 (10)	Nb2A^iii—Nb2A—Se4A—Nb3A	−179.84 (13)
Nb2C^iv—Nb2C—Nb3C—Se4C	−179 (100)	Nb2A—Se1B—Se4B—Nb3A	85.24 (7)
Se1D—Nb2C—Nb3C—Se1C	−179.91 (11)	Nb3A—Se1B—Se4B—Nb2A	−85.24 (7)
Se6C—Nb2C—Nb3C—Se1C	−50.02 (11)	Se3B^i—Nb3A—Se4B—Se1B	164.66 (9)
Se6C^iv—Nb2C—Nb3C—Se1C	129.94 (12)	Se3A—Nb3A—Se4B—Se1B	45.94 (11)
Se5C^iv—Nb2C—Nb3C—Se1C	63.26 (11)	Se4A—Nb3A—Se4B—Se1B	−64.55 (10)
Se5C—Nb2C—Nb3C—Se1C	−116.86 (13)	Se2A—Nb3A—Se4B—Se1B	−171.94 (14)
Se4C—Nb2C—Nb3C—Se1C	−68.52 (10)	Se1A—Nb3A—Se4B—Se1B	−111.66 (8)
Se4D—Nb2C—Nb3C—Se1C	111.78 (10)	Se2B^i—Nb3A—Se4B—Se1B	81.30 (9)
Nb2C^iv—Nb2C—Nb3C—Se1C	113 (59)	Nb1A—Nb3A—Se4B—Se1B	115.45 (11)
Se1C—Nb2C—Nb3C—Se2D	−156.90 (12)	Nb2A—Nb3A—Se4B—Se1B	−64.72 (8)
Se1D—Nb2C—Nb3C—Se2D	23.19 (11)	Se3B^i—Nb3A—Se4B—Nb2A	−130.63 (8)
Se6C—Nb2C—Nb3C—Se2D	153.09 (10)	Se3A—Nb3A—Se4B—Nb2A	110.66 (10)
Se6C^iv—Nb2C—Nb3C—Se2D	−26.96 (14)	Se4A—Nb3A—Se4B—Nb2A	0.16 (10)
Se5C^iv—Nb2C—Nb3C—Se2D	−93.64 (13)	Se1B—Nb3A—Se4B—Nb2A	64.72 (8)
Se5C—Nb2C—Nb3C—Se2D	86.24 (14)	Se2A—Nb3A—Se4B—Nb2A	−107.22 (14)
Se4C—Nb2C—Nb3C—Se2D	134.58 (12)	Se1A—Nb3A—Se4B—Nb2A	−46.94 (7)
Se4D—Nb2C—Nb3C—Se2D	−45.11 (11)	Se2B^i—Nb3A—Se4B—Nb2A	146.01 (8)
Nb2C^iv—Nb2C—Nb3C—Se2D	−44 (59)	Nb1A—Nb3A—Se4B—Nb2A	−179.84 (10)
Se1C—Nb2C—Nb3C—Se2C	22.87 (11)	Se1A—Nb2A—Se4B—Se1B	120.39 (9)
Se1D—Nb2C—Nb3C—Se2C	−157.04 (12)	Se6A—Nb2A—Se4B—Se1B	157.6 (3)
Se6C—Nb2C—Nb3C—Se2C	−27.15 (14)	Se6A^iii—Nb2A—Se4B—Se1B	−94.44 (9)
Se6C^iv—Nb2C—Nb3C—Se2C	152.81 (11)	Se5A^iii—Nb2A—Se4B—Se1B	−146.48 (9)
Se5C^iv—Nb2C—Nb3C—Se2C	86.13 (13)	Se5A—Nb2A—Se4B—Se1B	−31.31 (14)
Se5C—Nb2C—Nb3C—Se2C	−93.99 (13)	Se4A—Nb2A—Se4B—Se1B	70.59 (9)
Se4C—Nb2C—Nb3C—Se2C	−45.65 (11)	Nb2A^iii—Nb2A—Se4B—Se1B	−109.42 (14)
Se4D—Nb2C—Nb3C—Se2C	134.66 (12)	Nb3A—Nb2A—Se4B—Se1B	70.75 (8)
Nb2C^iv—Nb2C—Nb3C—Se2C	136 (59)	Se1B—Nb2A—Se4B—Nb3A	−70.75 (8)
Se1C—Nb2C—Nb3C—Se1D	179.91 (11)	Se1A—Nb2A—Se4B—Nb3A	49.65 (8)
Se6C—Nb2C—Nb3C—Se1D	129.89 (12)	Se6A—Nb2A—Se4B—Nb3A	86.8 (3)
Se6C^iv—Nb2C—Nb3C—Se1D	−50.15 (11)	Se6A^iii—Nb2A—Se4B—Nb3A	−165.18 (9)
Se5C^iv—Nb2C—Nb3C—Se1D	−116.83 (12)	Se5A^iii—Nb2A—Se4B—Nb3A	142.77 (9)
Se5C—Nb2C—Nb3C—Se1D	63.05 (11)	Se5A—Nb2A—Se4B—Nb3A	−102.06 (13)
Se4C—Nb2C—Nb3C—Se1D	111.39 (10)	Se4A—Nb2A—Se4B—Nb3A	−0.15 (9)
Se4D—Nb2C—Nb3C—Se1D	−68.31 (9)	Nb2A^iii—Nb2A—Se4B—Nb3A	179.84 (13)
Nb2C^iv—Nb2C—Nb3C—Se1D	−67 (59)	Nb2C—Se1C—Se4C—Nb3C	85.44 (8)
Se1C—Nb2C—Nb3C—Nb1C	−65 (100)	Nb3C—Se1C—Se4C—Nb2C	−85.44 (8)
Se1D—Nb2C—Nb3C—Nb1C	115 (100)	Se3D—Nb3C—Se4C—Se1C	45.59 (11)
Se6C—Nb2C—Nb3C—Nb1C	−115 (100)	Se4D—Nb3C—Se4C—Se1C	−65.13 (10)
Se6C^iv—Nb2C—Nb3C—Nb1C	65 (100)	Se3C—Nb3C—Se4C—Se1C	164.48 (9)
Se5C^iv—Nb2C—Nb3C—Nb1C	−2 (100)	Se2D—Nb3C—Se4C—Se1C	−172.49 (15)
Se5C—Nb2C—Nb3C—Nb1C	178 (100)	Se2C—Nb3C—Se4C—Se1C	80.73 (8)
Se4C—Nb2C—Nb3C—Nb1C	−133 (100)	Se1D—Nb3C—Se4C—Se1C	−111.93 (8)
Se4D—Nb2C—Nb3C—Nb1C	47 (100)	Nb1C—Nb3C—Se4C—Se1C	115.10 (9)
Nb2C^iv—Nb2C—Nb3C—Nb1C	48 (100)	Nb2C—Nb3C—Se4C—Se1C	−64.87 (7)
Se1B—Nb2A—Se1A—Se4A	−64.31 (9)	Se3D—Nb3C—Se4C—Nb2C	110.46 (10)
Se6A—Nb2A—Se1A—Se4A	77.81 (8)	Se4D—Nb3C—Se4C—Nb2C	−0.26 (9)
Se6A^iii—Nb2A—Se1A—Se4A	−170.98 (13)	Se3C—Nb3C—Se4C—Nb2C	−130.65 (8)
Se5A^iii—Nb2A—Se1A—Se4A	161.99 (9)	Se1C—Nb3C—Se4C—Nb2C	64.87 (7)
Se5A—Nb2A—Se1A—Se4A	46.61 (12)	Se2D—Nb3C—Se4C—Nb2C	−107.62 (14)
Se4B—Nb2A—Se1A—Se4A	−111.02 (8)	Se2C—Nb3C—Se4C—Nb2C	145.60 (8)
Nb2A^iii—Nb2A—Se1A—Se4A	116.07 (12)	Se1D—Nb3C—Se4C—Nb2C	−47.06 (7)
Nb3A—Nb2A—Se1A—Se4A	−64.37 (7)	Nb1C—Nb3C—Se4C—Nb2C	179.97 (8)
Se1B—Nb2A—Se1A—Nb3A	0.06 (9)	Se1D—Nb2C—Se4C—Se1C	120.31 (9)
Se6A—Nb2A—Se1A—Nb3A	142.18 (8)	Se6C—Nb2C—Se4C—Se1C	−94.50 (9)
Se6A^iii—Nb2A—Se1A—Nb3A	−106.60 (13)	Se6C^iv—Nb2C—Se4C—Se1C	156.5 (3)
Se5A^iii—Nb2A—Se1A—Nb3A	−133.64 (8)	Se5C^iv—Nb2C—Se4C—Se1C	−30.79 (15)
Se5A—Nb2A—Se1A—Nb3A	110.98 (11)	Se5C—Nb2C—Se4C—Se1C	−146.57 (9)
Se4A—Nb2A—Se1A—Nb3A	64.37 (7)	Se4D—Nb2C—Se4C—Se1C	70.66 (9)
Se4B—Nb2A—Se1A—Nb3A	−46.65 (7)	Nb2C^iv—Nb2C—Se4C—Se1C	−109.58 (13)
Nb2A^iii—Nb2A—Se1A—Nb3A	−179.56 (11)	Nb3C—Nb2C—Se4C—Se1C	70.42 (8)
Se3B^i—Nb3A—Se1A—Se4A	−144.56 (9)	Se1C—Nb2C—Se4C—Nb3C	−70.42 (8)
Se3A—Nb3A—Se1A—Se4A	−27.71 (16)	Se1D—Nb2C—Se4C—Nb3C	49.88 (7)
Se4B—Nb3A—Se1A—Se4A	119.92 (9)	Se6C—Nb2C—Se4C—Nb3C	−164.93 (8)
Se1B—Nb3A—Se1A—Se4A	70.25 (9)	Se6C^iv—Nb2C—Se4C—Nb3C	86.1 (3)
Se2A—Nb3A—Se1A—Se4A	−91.34 (8)	Se5C^iv—Nb2C—Se4C—Nb3C	−101.22 (14)
Se2B^i—Nb3A—Se1A—Se4A	166.3 (3)	Se5C—Nb2C—Se4C—Nb3C	143.01 (8)
Nb1A—Nb3A—Se1A—Se4A	−109.43 (10)	Se4D—Nb2C—Se4C—Nb3C	0.24 (8)
Nb2A—Nb3A—Se1A—Se4A	70.30 (8)	Nb2C^iv—Nb2C—Se4C—Nb3C	180.00 (11)
Se3B^i—Nb3A—Se1A—Nb2A	145.14 (8)	Nb2C—Se1D—Se4D—Nb3C	85.24 (8)
Se3A—Nb3A—Se1A—Nb2A	−98.01 (15)	Nb3C—Se1D—Se4D—Nb2C	−85.24 (8)
Se4B—Nb3A—Se1A—Nb2A	49.62 (7)	Se3D—Nb3C—Se4D—Se1D	164.61 (9)
Se4A—Nb3A—Se1A—Nb2A	−70.30 (8)	Se3C—Nb3C—Se4D—Se1D	45.89 (11)
Se1B—Nb3A—Se1A—Nb2A	−0.05 (8)	Se4C—Nb3C—Se4D—Se1D	−64.55 (10)
Se2A—Nb3A—Se1A—Nb2A	−161.64 (8)	Se1C—Nb3C—Se4D—Se1D	−111.74 (9)
Se2B^i—Nb3A—Se1A—Nb2A	96.0 (3)	Se2D—Nb3C—Se4D—Se1D	81.18 (8)
Nb1A—Nb3A—Se1A—Nb2A	−179.74 (9)	Se2C—Nb3C—Se4D—Se1D	−172.33 (15)
Se1A—Nb2A—Se1B—Se4B	−64.42 (9)	Nb1C—Nb3C—Se4D—Se1D	115.22 (9)
Se6A—Nb2A—Se1B—Se4B	−171.30 (12)	Nb2C—Nb3C—Se4D—Se1D	−64.81 (7)
Se6A^iii—Nb2A—Se1B—Se4B	77.37 (8)	Se3D—Nb3C—Se4D—Nb2C	−130.58 (8)
Se5A^iii—Nb2A—Se1B—Se4B	45.79 (12)	Se3C—Nb3C—Se4D—Nb2C	110.70 (10)
Se5A—Nb2A—Se1B—Se4B	161.34 (9)	Se4C—Nb3C—Se4D—Nb2C	0.26 (9)
Se4A—Nb2A—Se1B—Se4B	−111.21 (8)	Se1C—Nb3C—Se4D—Nb2C	−46.93 (7)
Nb2A^iii—Nb2A—Se1B—Se4B	115.20 (12)	Se2D—Nb3C—Se4D—Nb2C	145.99 (8)
Nb3A—Nb2A—Se1B—Se4B	−64.36 (7)	Se2C—Nb3C—Se4D—Nb2C	−107.52 (15)
Se1A—Nb2A—Se1B—Nb3A	−0.06 (9)	Se1D—Nb3C—Se4D—Nb2C	64.81 (7)
Se6A—Nb2A—Se1B—Nb3A	−106.94 (12)	Nb1C—Nb3C—Se4D—Nb2C	−179.97 (8)
Se6A^iii—Nb2A—Se1B—Nb3A	141.73 (8)	Se1C—Nb2C—Se4D—Se1D	120.41 (9)
Se5A^iii—Nb2A—Se1B—Nb3A	110.15 (11)	Se6C—Nb2C—Se4D—Se1D	157.1 (4)
Se5A—Nb2A—Se1B—Nb3A	−134.30 (8)	Se6C^iv—Nb2C—Se4D—Se1D	−94.17 (9)
Se4A—Nb2A—Se1B—Nb3A	−46.85 (7)	Se5C^iv—Nb2C—Se4D—Se1D	−146.24 (9)
Se4B—Nb2A—Se1B—Nb3A	64.36 (7)	Se5C—Nb2C—Se4D—Se1D	−30.60 (14)
Nb2A^iii—Nb2A—Se1B—Nb3A	179.56 (11)	Se4C—Nb2C—Se4D—Se1D	70.76 (9)
Se3B^i—Nb3A—Se1B—Se4B	−27.37 (16)	Nb2C^iv—Nb2C—Se4D—Se1D	−109.00 (13)
Se3A—Nb3A—Se1B—Se4B	−144.29 (9)	Nb3C—Nb2C—Se4D—Se1D	71.00 (8)
Se4A—Nb3A—Se1B—Se4B	120.22 (9)	Se1C—Nb2C—Se4D—Nb3C	49.41 (7)
Se2A—Nb3A—Se1B—Se4B	164.7 (3)	Se1D—Nb2C—Se4D—Nb3C	−71.00 (8)
Se1A—Nb3A—Se1B—Se4B	70.64 (9)	Se6C—Nb2C—Se4D—Nb3C	86.1 (4)
Se2B^i—Nb3A—Se1B—Se4B	−91.21 (9)	Se6C^iv—Nb2C—Se4D—Nb3C	−165.17 (8)
Nb1A—Nb3A—Se1B—Se4B	−109.68 (11)	Se5C^iv—Nb2C—Se4D—Nb3C	142.76 (8)
Nb2A—Nb3A—Se1B—Se4B	70.58 (8)	Se5C—Nb2C—Se4D—Nb3C	−101.60 (14)
Se3B^i—Nb3A—Se1B—Nb2A	−97.95 (15)	Se4C—Nb2C—Se4D—Nb3C	−0.24 (8)
Se3A—Nb3A—Se1B—Nb2A	145.13 (8)	Nb2C^iv—Nb2C—Se4D—Nb3C	180.00 (11)
Se4B—Nb3A—Se1B—Nb2A	−70.58 (8)	Se1B—Nb2A—Se5A—Se6A	158.23 (9)
Se4A—Nb3A—Se1B—Nb2A	49.63 (7)	Se1A—Nb2A—Se5A—Se6A	40.65 (12)
Se2A—Nb3A—Se1B—Nb2A	94.1 (3)	Se6A^iii—Nb2A—Se5A—Se6A	−116.09 (8)
Se1A—Nb3A—Se1B—Nb2A	0.05 (8)	Se5A^iii—Nb2A—Se5A—Se6A	−68.42 (8)
Se2B^i—Nb3A—Se1B—Nb2A	−161.79 (8)	Se4A—Nb2A—Se5A—Se6A	76.28 (8)
Nb1A—Nb3A—Se1B—Nb2A	179.73 (9)	Se4B—Nb2A—Se5A—Se6A	−177.18 (13)
Se1D—Nb2C—Se1C—Se4C	−64.44 (10)	Nb2A^iii—Nb2A—Se5A—Se6A	−68.42 (8)
Se6C—Nb2C—Se1C—Se4C	77.53 (9)	Nb3A—Nb2A—Se5A—Se6A	111.79 (10)
Se6C^iv—Nb2C—Se1C—Se4C	−170.90 (13)	Se1B—Nb2A—Se5A—Nb2A^iii	−133.35 (9)
Se5C^iv—Nb2C—Se1C—Se4C	161.67 (9)	Se1A—Nb2A—Se5A—Nb2A^iii	109.07 (12)
Se5C—Nb2C—Se1C—Se4C	45.94 (11)	Se6A—Nb2A—Se5A—Nb2A^iii	68.42 (8)
Se4D—Nb2C—Se1C—Se4C	−111.11 (8)	Se6A^iii—Nb2A—Se5A—Nb2A^iii	−47.67 (6)
Nb2C^iv—Nb2C—Se1C—Se4C	115.60 (13)	Se5A^iii—Nb2A—Se5A—Nb2A^iii	0.0
Nb3C—Nb2C—Se1C—Se4C	−64.51 (8)	Se4A—Nb2A—Se5A—Nb2A^iii	144.70 (10)
Se1D—Nb2C—Se1C—Nb3C	0.08 (10)	Se4B—Nb2A—Se5A—Nb2A^iii	−108.76 (14)
Se6C—Nb2C—Se1C—Nb3C	142.05 (8)	Nb3A—Nb2A—Se5A—Nb2A^iii	−179.79 (11)
Se6C^iv—Nb2C—Se1C—Nb3C	−106.38 (13)	Se1C—Nb2C—Se5C—Se6C	41.23 (11)
Se5C^iv—Nb2C—Se1C—Nb3C	−133.82 (8)	Se1D—Nb2C—Se5C—Se6C	158.38 (10)
Se5C—Nb2C—Se1C—Nb3C	110.45 (10)	Se6C^iv—Nb2C—Se5C—Se6C	−116.03 (8)
Se4C—Nb2C—Se1C—Nb3C	64.51 (8)	Se5C^iv—Nb2C—Se5C—Se6C	−68.28 (8)
Se4D—Nb2C—Se1C—Nb3C	−46.59 (7)	Se4C—Nb2C—Se5C—Se6C	76.35 (9)
Nb2C^iv—Nb2C—Se1C—Nb3C	−179.88 (12)	Se4D—Nb2C—Se5C—Se6C	−177.57 (14)
Se3D—Nb3C—Se1C—Se4C	−144.65 (10)	Nb2C^iv—Nb2C—Se5C—Se6C	−68.28 (8)
Se4D—Nb3C—Se1C—Se4C	119.72 (9)	Nb3C—Nb2C—Se5C—Se6C	111.82 (11)
Se3C—Nb3C—Se1C—Se4C	−27.74 (15)	Se1C—Nb2C—Se5C—Nb2C^iv	109.51 (11)
Se2D—Nb3C—Se1C—Se4C	165.7 (3)	Se1D—Nb2C—Se5C—Nb2C^iv	−133.34 (10)
Se2C—Nb3C—Se1C—Se4C	−91.61 (9)	Se6C—Nb2C—Se5C—Nb2C^iv	68.28 (8)
Se1D—Nb3C—Se1C—Se4C	70.20 (9)	Se6C^iv—Nb2C—Se5C—Nb2C^iv	−47.76 (7)
Nb1C—Nb3C—Se1C—Se4C	−109.77 (12)	Se5C^iv—Nb2C—Se5C—Nb2C^iv	0.0
Nb2C—Nb3C—Se1C—Se4C	70.27 (8)	Se4C—Nb2C—Se5C—Nb2C^iv	144.63 (10)
Se3D—Nb3C—Se1C—Nb2C	145.08 (9)	Se4D—Nb2C—Se5C—Nb2C^iv	−109.29 (15)
Se4D—Nb3C—Se1C—Nb2C	49.45 (8)	Nb3C—Nb2C—Se5C—Nb2C^iv	−179.90 (12)
Se3C—Nb3C—Se1C—Nb2C	−98.01 (15)	Nb2A^iii—Se5A—Se6A—Nb2A	−83.15 (7)
Se4C—Nb3C—Se1C—Nb2C	−70.27 (8)	Nb2A—Se5A—Se6A—Nb2A^iii	83.15 (7)
Se2D—Nb3C—Se1C—Nb2C	95.4 (3)	Se1B—Nb2A—Se6A—Se5A	−35.34 (13)
Se2C—Nb3C—Se1C—Nb2C	−161.88 (9)	Se1A—Nb2A—Se6A—Se5A	−149.99 (9)
Se1D—Nb3C—Se1C—Nb2C	−0.07 (9)	Se6A^iii—Nb2A—Se6A—Se5A	68.81 (8)
Nb1C—Nb3C—Se1C—Nb2C	179.96 (10)	Se5A^iii—Nb2A—Se6A—Se5A	116.86 (8)
Se1C—Nb2C—Se1D—Se4D	−64.29 (10)	Se4A—Nb2A—Se6A—Se5A	−96.77 (9)
Se6C—Nb2C—Se1D—Se4D	−171.28 (14)	Se4B—Nb2A—Se6A—Se5A	173.1 (3)
Se6C^iv—Nb2C—Se1D—Se4D	77.63 (9)	Nb2A^iii—Nb2A—Se6A—Se5A	68.81 (8)
Se5C^iv—Nb2C—Se1D—Se4D	46.26 (11)	Nb3A—Nb2A—Se6A—Se5A	−111.47 (11)
Se5C—Nb2C—Se1D—Se4D	161.68 (9)	Se1B—Nb2A—Se6A—Nb2A^iii	−104.15 (14)
Se4C—Nb2C—Se1D—Se4D	−111.05 (8)	Se1A—Nb2A—Se6A—Nb2A^iii	141.20 (10)
Nb2C^iv—Nb2C—Se1D—Se4D	115.67 (13)	Se6A^iii—Nb2A—Se6A—Nb2A^iii	0.0
Nb3C—Nb2C—Se1D—Se4D	−64.22 (8)	Se5A^iii—Nb2A—Se6A—Nb2A^iii	48.05 (7)
Se1C—Nb2C—Se1D—Nb3C	−0.08 (9)	Se5A—Nb2A—Se6A—Nb2A^iii	−68.81 (8)
Se6C—Nb2C—Se1D—Nb3C	−107.06 (13)	Se4A—Nb2A—Se6A—Nb2A^iii	−165.58 (11)
Se6C^iv—Nb2C—Se1D—Nb3C	141.84 (8)	Se4B—Nb2A—Se6A—Nb2A^iii	104.3 (3)
Se5C^iv—Nb2C—Se1D—Nb3C	110.47 (10)	Nb3A—Nb2A—Se6A—Nb2A^iii	179.72 (13)
Se5C—Nb2C—Se1D—Nb3C	−134.10 (8)	Nb2C^iv—Se5C—Se6C—Nb2C	−83.11 (7)
Se4C—Nb2C—Se1D—Nb3C	−46.83 (7)	Nb2C—Se5C—Se6C—Nb2C^iv	83.11 (7)
Se4D—Nb2C—Se1D—Nb3C	64.22 (8)	Se1C—Nb2C—Se6C—Se5C	−149.60 (9)
Nb2C^iv—Nb2C—Se1D—Nb3C	179.88 (12)	Se1D—Nb2C—Se6C—Se5C	−34.92 (14)
Se3D—Nb3C—Se1D—Se4D	−27.42 (15)	Se6C^iv—Nb2C—Se6C—Se5C	68.90 (8)
Se3C—Nb3C—Se1D—Se4D	−144.24 (10)	Se5C^iv—Nb2C—Se6C—Se5C	117.01 (8)
Se4C—Nb3C—Se1D—Se4D	120.12 (9)	Se4C—Nb2C—Se6C—Se5C	−96.54 (9)
Se1C—Nb3C—Se1D—Se4D	70.54 (9)	Se4D—Nb2C—Se6C—Se5C	174.0 (4)
Se2D—Nb3C—Se1D—Se4D	−91.20 (9)	Nb2C^iv—Nb2C—Se6C—Se5C	68.90 (8)
Se2C—Nb3C—Se1D—Se4D	165.3 (3)	Nb3C—Nb2C—Se6C—Se5C	−111.14 (10)
Nb1C—Nb3C—Se1D—Se4D	−109.49 (12)	Se1C—Nb2C—Se6C—Nb2C^iv	141.50 (9)
Nb2C—Nb3C—Se1D—Se4D	70.47 (8)	Se1D—Nb2C—Se6C—Nb2C^iv	−103.82 (14)
Se3D—Nb3C—Se1D—Nb2C	−97.89 (14)	Se6C^iv—Nb2C—Se6C—Nb2C^iv	0.0
Se4D—Nb3C—Se1D—Nb2C	−70.47 (8)	Se5C^iv—Nb2C—Se6C—Nb2C^iv	48.11 (6)
Se3C—Nb3C—Se1D—Nb2C	145.30 (9)	Se5C—Nb2C—Se6C—Nb2C^iv	−68.90 (8)
Se4C—Nb3C—Se1D—Nb2C	49.65 (7)	Se4C—Nb2C—Se6C—Nb2C^iv	−165.44 (9)
Se1C—Nb3C—Se1D—Nb2C	0.07 (9)	Se4D—Nb2C—Se6C—Nb2C^iv	105.1 (4)
Se2D—Nb3C—Se1D—Nb2C	−161.67 (9)	Nb3C—Nb2C—Se6C—Nb2C^iv	179.96 (11)

Symmetry codes: (i) −x, y, −z+1/2; (ii) −x+1, y, −z+1/2; (iii) −x, −y+1, −z+1; (iv) −x+1, −y+2, −z+1.