β-Nd2Mo4O15

Zhao, D.; Li, F.-F.; Yao, Y.-M.; Huan, C.-A.; Zhao, E.-X.

doi:10.1107/S1600536810048609

inorganic compounds

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ISSN: 2056-9890

Volume 66| Part 12| December 2010| Page i85

https://doi.org/10.1107/S1600536810048609

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β-Nd₂Mo₄O₁₅

Dan Zhao,^a ^* Fei-Fei Li,^a Yu-Ming Yao,^a Chang-An Huan ^a and En-Xiao Zhao ^a

^aDepartment of Physics and Chemistry, Henan Polytechnic University, Jiaozuo, Henan 454000, People's Republic of China
^*Correspondence e-mail: iamzd@hpu.edu.cn

(Received 4 November 2010; accepted 22 November 2010; online 27 November 2010)

The title compound, dineodymium(III) tetramolybdate(VI), has been prepared by a flux technique and is the second polymorph of composition Nd₂Mo₄O₁₅. The crystal structure is isotypic with those of Ce₂Mo₄O₁₅ and Pr₂Mo₄O₁₅. It features a three-dimensional network composed of distorted edge- and corner-sharing NdO₇ polyhedra, NdO₈ polyhedra, MoO₄ tetrahedra and MoO₆ octahedra.

Related literature

For background to molybdates with rare earth (RE) cations, see: Borchardt & Bierstedt (1966 ); Ouwerkerk et al. (1982 ). For the α-polymorph of Nd₂Mo₄O₁₅, see: Naruke & Yamase (2003 ). Structures isotypic with β-Nd₂Mo₄O₁₅ were reported for the Ce (Fallon & Gatehouse, 1982 ) and Pr (Efremov et al., 1988a ) analogues. For the crystal structures, properties and applications of other molybdates with general formula RE₂Mo₄O₁₅, see: RE = La (Dubois et al., 2001 ); Tb (Naruke & Yamase, 2001 ); La, Nd, Sm (Naruke & Yamase, 2003); Ho (Efremov et al., 1988b ).

Experimental

Crystal data

Nd₂Mo₄O₁₅
M_r = 912.24
Triclinic, $[P \overline 1]$
a = 7.4000 (6) Å
b = 7.4992 (6) Å
c = 11.7291 (9) Å
α = 88.916 (2)°
β = 83.957 (1)°
γ = 84.196 (2)°
V = 643.94 (9) Å³
Z = 2
Mo Kα radiation
μ = 11.77 mm⁻¹
T = 293 K
0.15 × 0.15 × 0.05 mm

Data collection

Bruker SMART 1K CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1997 ) T_min = 0.271, T_max = 0.591
3620 measured reflections
2390 independent reflections
2268 reflections with I > 2σ(I)
R_int = 0.040

Refinement

R[F² > 2σ(F²)] = 0.046
wR(F²) = 0.128
S = 1.05
2390 reflections
191 parameters
Δρ_max = 3.38 e Å⁻³
Δρ_min = −2.54 e Å⁻³

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2004 ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810048609/wm2425sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810048609/wm2425Isup2.hkl

checkCIF report

Comment top

Rare-earth molybdate compounds have been intensively studied due to their diversity and excellent chemical stabilities, as well as their potential applications as laser host phosphors, or as ferroelectric and ferroelastic materials (Borchardt & Bierstedt, 1966; Ouwerkerk et al., 1982). Previous studies of the family of RE₂Mo₄O₁₅ (RE is a rare earth metal cation) compounds show that they adopt different structure types, such as monoclinic La₂Mo₄O₁₅ with Z = 4 (Dubois et al., 2001; Naruke & Yamase, 2003); Tb₂Mo₄O₁₅ (Naruke & Yamase, 2001) and Ho₂Mo₄O₁₅ (Efremov et al., 1988b) with Z = 2, or triclinic Nd₂Mo₄O₁₅ (Naruke & Yamase, 2003) with Z = 3. In this paper, we present synthesis and crystal structure of the β-phase of compound Nd₂Mo₄O₁₅ which is structurally different from the first (α-) Nd₂Mo₄O₁₅ polymorph (Naruke & Yamase, 2003), but is isotypic with Ce₂Mo₄O₁₅ (Fallon & Gatehouse, 1982) and Pr₂Mo₄O₁₅ (Efremov et al., 1988a) with Z = 2.

The structure of β-Nd₂Mo₄O₁₅ features a three-dimensional framework composed of distorted NdO₇, NdO₈, MoO₄ and MoO₆ polyhedra, as shown in Fig. 1. There are four crystallographically different Mo atoms in the asymmetric unit. Mo(1), Mo(2), Mo(3) atoms are surrounded by four oxygen atoms within a tetrahedral coordination, while the Mo(4) atom is surrrounded by six oxygen atoms within a considerably distorted octahedral coordination. Two adjacent Mo(4)O₆ octahedra are connected through edge-sharing, forming Mo₂O₁₀ units. These Mo₂O₁₀ units are interconnected by Mo(1)O₄ tetrahedra via corner-sharing to form an infinite Mo₄O₁₄ chain parallel to [100]. The distorted environments of the two Nd atoms Nd(1) and Nd(2) are different. While Nd(1) is coordinated by seven oxygen atoms, Nd(2) is coordinated by eight oxygen atoms. The Mo₄O₁₄ chains are linked perpendicularly to the chain direction into a three-dimensional framework via isolated Mo(2)O₄ and Mo(3)O₄ tetrahedra and by Nd(1)O₇ and Nd(2)O₈ polyhedra sharing edges and corners (Fig. 2) .

Related literature top

For background to molybdates with rare earth (RE) cations, see: Borchardt & Bierstedt (1966); Ouwerkerk et al. (1982). For the α-polymorph of Nd₂Mo₄O₁₅, see: (Naruke & Yamase, 2003). Structures isotypic with β-Nd₂Mo₄O₁₅ were reported for the Ce (Fallon & Gatehouse, 1982) and Pr (Efremov et al., 1988a) analogues. For the crystal structures, properties and applications of other molybdates with general formula RE₂Mo₄O₁₅ (RE is a rare earth metal), see: RE = La (Dubois et al., 2001); Tb (Naruke & Yamase, 2001); La, Nd, Sm (Naruke & Yamase, 2003); Ho (Efremov et al., 1988b).

Experimental top

The finely ground reagents K₂CO₃, Nd₂O₃, and MoO₃ were mixed in the molar ratio K: Nd: Mo = 3: 2: 6, were placed in a Pt crucible, and heated at 573 K for 4 h. The mixture was then re-ground and heated at 1273 K for 20 h, then cooled to 673 K at a rate of 3 K h^-1, and finally quenched to room temperature. A few light-red crystals of the title compound with prismatic shape were obtained.

Structure description top

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2004); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The expanded asymmetric unit of β-Nd₂Mo₄O₁₅ showing the coordination environments of the Mo and Nd atoms. [Symmetry codes: (i) x, y, z; (ii) 1 - x, 1 - y, 1 - z; (iii) -1 + x, 1 + y, z; (iv) 1 - x, 1 - y, -z; (v) x, 1 + y, z; (vi) -x, 1 - y, 1 - z; (vii) x, -1 + y, z; (viii) -1 + x, y, z.]
	Fig. 2. View of the crystal structure of β-Nd₂Mo₄O₁₅ along [010]. MoO₄ and MoO6 units are given in the polyhedral representation.

dineodymium(III) tetramolybdate(VI) top

Crystal data top

Nd₂Mo₄O₁₅	Z = 2
M_r = 912.24	F(000) = 816
Triclinic, P1	D_x = 4.705 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.4000 (6) Å	Cell parameters from 487 reflections
b = 7.4992 (6) Å	θ = 2.1–23.0°
c = 11.7291 (9) Å	µ = 11.77 mm⁻¹
α = 88.916 (2)°	T = 293 K
β = 83.957 (1)°	Prism, light-red
γ = 84.196 (2)°	0.15 × 0.15 × 0.05 mm
V = 643.94 (9) Å³

Data collection top

Bruker SMART 1K CCD diffractometer	2390 independent reflections
Radiation source: fine-focus sealed tube	2268 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.040
ω scans	θ_max = 25.7°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 1997)	h = −9→8
T_min = 0.271, T_max = 0.591	k = −9→6
3620 measured reflections	l = −14→14

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.046	w = 1/[σ²(F_o²) + (0.0986P)² + 6.3644P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.128	(Δ/σ)_max < 0.001
S = 1.05	Δρ_max = 3.38 e Å⁻³
2390 reflections	Δρ_min = −2.54 e Å⁻³
191 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0080 (7)

Crystal data top

Nd₂Mo₄O₁₅	γ = 84.196 (2)°
M_r = 912.24	V = 643.94 (9) Å³
Triclinic, P1	Z = 2
a = 7.4000 (6) Å	Mo Kα radiation
b = 7.4992 (6) Å	µ = 11.77 mm⁻¹
c = 11.7291 (9) Å	T = 293 K
α = 88.916 (2)°	0.15 × 0.15 × 0.05 mm
β = 83.957 (1)°

Data collection top

Bruker SMART 1K CCD diffractometer	2390 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 1997)	2268 reflections with I > 2σ(I)
T_min = 0.271, T_max = 0.591	R_int = 0.040
3620 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.046	191 parameters
wR(F²) = 0.128	0 restraints
S = 1.05	Δρ_max = 3.38 e Å⁻³
2390 reflections	Δρ_min = −2.54 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, conven tional 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
Nd1	0.24478 (7)	0.41215 (6)	0.22477 (4)	0.0090 (2)
Nd2	0.67891 (6)	0.09060 (6)	0.22360 (4)	0.0081 (2)
Mo1	0.43929 (11)	0.25334 (11)	0.52879 (7)	0.0093 (3)
Mo2	0.72798 (11)	0.57014 (10)	0.12800 (7)	0.0081 (3)
Mo3	0.22775 (11)	0.92862 (10)	0.12894 (7)	0.0084 (3)
Mo4	0.09418 (11)	0.67225 (10)	0.52795 (7)	0.0090 (3)
O11	0.0842 (9)	0.4745 (9)	0.4032 (6)	0.0122 (14)
O2	0.6680 (10)	0.2917 (10)	0.5608 (6)	0.0180 (15)
O15	0.5756 (9)	0.4080 (9)	0.1806 (6)	0.0124 (14)
O8	0.3544 (9)	0.0941 (9)	0.1872 (6)	0.0116 (14)
O1	0.2954 (10)	0.4305 (9)	0.5914 (6)	0.0161 (15)
O5	0.8677 (10)	0.2270 (10)	0.3442 (7)	0.0183 (15)
O7	0.7035 (11)	0.0974 (11)	0.0170 (7)	0.0209 (17)
O12	−0.0335 (11)	0.8313 (10)	0.4610 (7)	0.0217 (16)
O4	0.4229 (10)	0.2652 (9)	0.3798 (6)	0.0153 (15)
O6	0.9983 (10)	0.0078 (11)	0.1526 (7)	0.0231 (17)
O9	0.2747 (11)	0.4070 (11)	0.0191 (7)	0.0227 (17)
O10	0.2620 (11)	0.7197 (10)	0.1964 (6)	0.0200 (16)
O13	0.6638 (11)	0.7841 (10)	0.1853 (7)	0.0207 (16)
O14	0.9451 (11)	0.4864 (12)	0.1581 (7)	0.0253 (18)
O3	0.3788 (10)	0.0521 (9)	0.5944 (6)	0.0150 (14)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Nd1	0.0097 (3)	0.0080 (3)	0.0089 (3)	0.0000 (2)	0.0000 (2)	0.0003 (2)
Nd2	0.0096 (3)	0.0058 (3)	0.0091 (3)	−0.0022 (2)	−0.0012 (2)	−0.0003 (2)
Mo1	0.0098 (4)	0.0084 (4)	0.0101 (4)	−0.0026 (3)	−0.0019 (3)	0.0022 (3)
Mo2	0.0086 (4)	0.0075 (4)	0.0084 (4)	−0.0030 (3)	0.0001 (3)	0.0001 (3)
Mo3	0.0089 (4)	0.0080 (4)	0.0088 (4)	−0.0025 (3)	−0.0011 (3)	−0.0016 (3)
Mo4	0.0083 (4)	0.0079 (4)	0.0113 (4)	−0.0026 (3)	−0.0011 (3)	−0.0023 (3)
O11	0.013 (3)	0.013 (3)	0.011 (3)	−0.004 (3)	−0.001 (3)	0.000 (3)
O2	0.017 (4)	0.023 (4)	0.015 (4)	−0.006 (3)	0.000 (3)	0.002 (3)
O15	0.006 (3)	0.011 (3)	0.020 (4)	−0.001 (2)	0.003 (3)	−0.006 (3)
O8	0.010 (3)	0.008 (3)	0.017 (3)	−0.006 (3)	−0.002 (3)	−0.002 (3)
O1	0.019 (4)	0.009 (3)	0.019 (4)	−0.003 (3)	0.000 (3)	−0.001 (3)
O5	0.016 (4)	0.016 (4)	0.024 (4)	−0.004 (3)	−0.001 (3)	−0.004 (3)
O7	0.026 (4)	0.024 (4)	0.012 (4)	−0.001 (3)	0.000 (3)	−0.006 (3)
O12	0.023 (4)	0.016 (4)	0.027 (4)	0.003 (3)	−0.008 (3)	0.000 (3)
O4	0.015 (3)	0.009 (3)	0.019 (4)	0.005 (3)	0.001 (3)	−0.001 (3)
O6	0.012 (4)	0.030 (5)	0.026 (4)	0.002 (3)	0.001 (3)	−0.002 (3)
O9	0.026 (4)	0.027 (4)	0.016 (4)	−0.005 (3)	−0.001 (3)	−0.003 (3)
O10	0.032 (4)	0.015 (4)	0.016 (4)	−0.005 (3)	−0.013 (3)	0.004 (3)
O13	0.031 (4)	0.011 (4)	0.021 (4)	−0.006 (3)	−0.006 (3)	−0.001 (3)
O14	0.015 (4)	0.039 (5)	0.021 (4)	−0.007 (3)	0.003 (3)	0.007 (4)
O3	0.017 (3)	0.008 (3)	0.019 (4)	−0.002 (3)	0.000 (3)	0.008 (3)

Geometric parameters (Å, º) top

Nd1—O11	2.326 (7)	Mo2—O15	1.798 (7)
Nd1—O10	2.339 (7)	Mo3—O6^v	1.737 (7)
Nd1—O9	2.400 (8)	Mo3—O7^iv	1.742 (8)
Nd1—O14ⁱ	2.437 (8)	Mo3—O10	1.749 (7)
Nd1—O15	2.446 (6)	Mo3—O8^vi	1.814 (6)
Nd1—O8	2.472 (7)	Mo4—O12	1.680 (8)
Nd1—O4	2.528 (7)	Mo4—O5^vii	1.753 (7)
Nd1—Nd2	3.8158 (7)	Mo4—O11^viii	1.909 (7)
Nd2—O13ⁱⁱ	2.366 (7)	Mo4—O2^vii	1.989 (7)
Nd2—O3ⁱⁱⁱ	2.387 (7)	Mo4—O11	2.115 (7)
Nd2—O5	2.399 (7)	Mo4—O1	2.386 (7)
Nd2—O7	2.411 (8)	Mo4—Mo4^viii	3.1674 (15)
Nd2—O6	2.444 (7)	O11—Mo4^viii	1.909 (7)
Nd2—O8	2.480 (7)	O2—Mo4^vii	1.989 (7)
Nd2—O15	2.484 (7)	O8—Mo3ⁱⁱ	1.814 (6)
Nd2—O4	2.742 (7)	O5—Mo4^vii	1.753 (7)
Mo1—O1	1.739 (7)	O7—Mo3^iv	1.742 (8)
Mo1—O3	1.758 (7)	O6—Mo3^ix	1.737 (7)
Mo1—O4	1.764 (7)	O9—Mo2^iv	1.733 (8)
Mo1—O2	1.823 (7)	O13—Nd2^vi	2.366 (7)
Mo2—O9^iv	1.733 (8)	O14—Nd1^x	2.437 (8)
Mo2—O14	1.734 (8)	O3—Nd2ⁱⁱⁱ	2.387 (7)
Mo2—O13	1.753 (7)

O11—Nd1—O10	88.8 (3)	O4—Nd2—Nd1	41.44 (15)
O11—Nd1—O9	153.3 (3)	O1—Mo1—O3	108.8 (3)
O10—Nd1—O9	83.4 (3)	O1—Mo1—O4	107.4 (3)
O11—Nd1—O14ⁱ	82.8 (3)	O3—Mo1—O4	114.5 (3)
O10—Nd1—O14ⁱ	82.1 (3)	O1—Mo1—O2	105.5 (3)
O9—Nd1—O14ⁱ	70.9 (3)	O3—Mo1—O2	109.3 (3)
O11—Nd1—O15	125.3 (2)	O4—Mo1—O2	110.9 (3)
O10—Nd1—O15	81.3 (3)	O9^iv—Mo2—O14	109.3 (4)
O9—Nd1—O15	78.7 (3)	O9^iv—Mo2—O13	106.3 (4)
O14ⁱ—Nd1—O15	146.7 (3)	O14—Mo2—O13	112.1 (4)
O11—Nd1—O8	116.2 (2)	O9^iv—Mo2—O15	109.1 (4)
O10—Nd1—O8	152.5 (3)	O14—Mo2—O15	107.0 (3)
O9—Nd1—O8	78.6 (3)	O13—Mo2—O15	113.0 (3)
O14ⁱ—Nd1—O8	110.8 (3)	O6^v—Mo3—O7^iv	111.1 (4)
O15—Nd1—O8	75.0 (2)	O6^v—Mo3—O10	109.0 (4)
O11—Nd1—O4	70.6 (2)	O7^iv—Mo3—O10	108.4 (4)
O10—Nd1—O4	116.3 (2)	O6^v—Mo3—O8^vi	106.6 (4)
O9—Nd1—O4	135.5 (2)	O7^iv—Mo3—O8^vi	109.7 (3)
O14ⁱ—Nd1—O4	146.5 (2)	O10—Mo3—O8^vi	112.0 (3)
O15—Nd1—O4	66.7 (2)	O12—Mo4—O5^vii	104.3 (4)
O8—Nd1—O4	66.3 (2)	O12—Mo4—O11^viii	102.4 (4)
O11—Nd1—Nd2	116.20 (17)	O5^vii—Mo4—O11^viii	95.7 (3)
O10—Nd1—Nd2	120.5 (2)	O12—Mo4—O2^vii	97.0 (4)
O9—Nd1—Nd2	89.6 (2)	O5^vii—Mo4—O2^vii	97.9 (3)
O14ⁱ—Nd1—Nd2	148.9 (2)	O11^viii—Mo4—O2^vii	152.7 (3)
O15—Nd1—Nd2	39.66 (16)	O12—Mo4—O11	94.5 (3)
O8—Nd1—Nd2	39.68 (15)	O5^vii—Mo4—O11	160.8 (3)
O4—Nd1—Nd2	45.87 (15)	O11^viii—Mo4—O11	76.3 (3)
O13ⁱⁱ—Nd2—O3ⁱⁱⁱ	73.9 (3)	O2^vii—Mo4—O11	83.4 (3)
O13ⁱⁱ—Nd2—O5	129.8 (3)	O12—Mo4—O1	170.4 (3)
O3ⁱⁱⁱ—Nd2—O5	75.9 (3)	O5^vii—Mo4—O1	83.9 (3)
O13ⁱⁱ—Nd2—O7	79.6 (3)	O11^viii—Mo4—O1	81.3 (3)
O3ⁱⁱⁱ—Nd2—O7	153.0 (3)	O2^vii—Mo4—O1	76.7 (3)
O5—Nd2—O7	126.9 (3)	O11—Mo4—O1	77.7 (3)
O13ⁱⁱ—Nd2—O6	80.7 (3)	O12—Mo4—Mo4^viii	100.5 (3)
O3ⁱⁱⁱ—Nd2—O6	107.9 (3)	O5^vii—Mo4—Mo4^viii	133.6 (3)
O5—Nd2—O6	71.7 (3)	O11^viii—Mo4—Mo4^viii	40.4 (2)
O7—Nd2—O6	72.0 (3)	O2^vii—Mo4—Mo4^viii	117.3 (2)
O13ⁱⁱ—Nd2—O8	79.2 (3)	O11—Mo4—Mo4^viii	35.83 (18)
O3ⁱⁱⁱ—Nd2—O8	91.6 (2)	O1—Mo4—Mo4^viii	76.52 (17)
O5—Nd2—O8	140.7 (2)	Mo4^viii—O11—Mo4	103.7 (3)
O7—Nd2—O8	78.5 (3)	Mo4^viii—O11—Nd1	122.5 (3)
O6—Nd2—O8	146.8 (3)	Mo4—O11—Nd1	133.7 (3)
O13ⁱⁱ—Nd2—O15	147.6 (2)	Mo1—O2—Mo4^vii	136.8 (4)
O3ⁱⁱⁱ—Nd2—O15	124.5 (2)	Mo2—O15—Nd1	135.0 (4)
O5—Nd2—O15	82.5 (2)	Mo2—O15—Nd2	123.6 (3)
O7—Nd2—O15	77.3 (3)	Nd1—O15—Nd2	101.4 (2)
O6—Nd2—O15	112.6 (3)	Mo3ⁱⁱ—O8—Nd1	126.2 (3)
O8—Nd2—O15	74.2 (2)	Mo3ⁱⁱ—O8—Nd2	132.4 (3)
O13ⁱⁱ—Nd2—O4	119.7 (3)	Nd1—O8—Nd2	100.8 (2)
O3ⁱⁱⁱ—Nd2—O4	63.0 (2)	Mo1—O1—Mo4	136.9 (4)
O5—Nd2—O4	78.3 (2)	Mo4^vii—O5—Nd2	152.6 (4)
O7—Nd2—O4	129.9 (2)	Mo3^iv—O7—Nd2	165.9 (5)
O6—Nd2—O4	150.0 (2)	Mo1—O4—Nd1	144.6 (4)
O8—Nd2—O4	63.0 (2)	Mo1—O4—Nd2	122.6 (3)
O15—Nd2—O4	62.9 (2)	Nd1—O4—Nd2	92.7 (2)
O13ⁱⁱ—Nd2—Nd1	118.7 (2)	Mo3^ix—O6—Nd2	168.5 (5)
O3ⁱⁱⁱ—Nd2—Nd1	99.86 (17)	Mo2^iv—O9—Nd1	171.6 (5)
O5—Nd2—Nd1	105.23 (18)	Mo3—O10—Nd1	156.8 (4)
O7—Nd2—Nd1	88.49 (19)	Mo2—O13—Nd2^vi	159.0 (5)
O6—Nd2—Nd1	150.0 (2)	Mo2—O14—Nd1^x	169.8 (5)
O8—Nd2—Nd1	39.53 (15)	Mo1—O3—Nd2ⁱⁱⁱ	143.0 (4)
O15—Nd2—Nd1	38.92 (15)

Symmetry codes: (i) x−1, y, z; (ii) x, y−1, z; (iii) −x+1, −y, −z+1; (iv) −x+1, −y+1, −z; (v) x−1, y+1, z; (vi) x, y+1, z; (vii) −x+1, −y+1, −z+1; (viii) −x, −y+1, −z+1; (ix) x+1, y−1, z; (x) x+1, y, z.

Experimental details

Crystal data
Chemical formula	Nd₂Mo₄O₁₅
M_r	912.24
Crystal system, space group	Triclinic, P1
Temperature (K)	293
a, b, c (Å)	7.4000 (6), 7.4992 (6), 11.7291 (9)
α, β, γ (°)	88.916 (2), 83.957 (1), 84.196 (2)
V (Å³)	643.94 (9)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	11.77
Crystal size (mm)	0.15 × 0.15 × 0.05

Data collection
Diffractometer	Bruker SMART 1K CCD
Absorption correction	Multi-scan (SADABS; Bruker, 1997)
T_min, T_max	0.271, 0.591
No. of measured, independent and observed [I > 2σ(I)] reflections	3620, 2390, 2268
R_int	0.040
(sin θ/λ)_max (Å⁻¹)	0.611

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.046, 0.128, 1.05
No. of reflections	2390
No. of parameters	191
Δρ_max, Δρ_min (e Å⁻³)	3.38, −2.54

Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2004), SHELXTL (Sheldrick, 2008).

References

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