The disordered cluster compound CaMo₅(Mo_0.38Ti_0.62)O₁₀

The title compound, calcium penta­molybdenum titanium deca­oxide, is isomorphous with the AMo₅(Ti_0.7Mo_0.3)O₁₀ (A = Sr and Eu) compounds. The smaller size of calcium induces a higher molybdenum content on the capping sites of the bioctahedral Mo₁₀ clusters, leading to more Mo₁₁ and Mo₁₂ clusters in the crystal structure. The oxygen framework derives from the stacking of close-packed layers along the a direction in the ...ABAC... sequence. The Ca²⁺ ions occupy large cavities which result from the fusion of two cubo­octahedra and are surrounded by ten O atoms. The Ti⁴⁺ ion is octa­hedrally coordinated by the O atoms.

S1. Comment

Among the molybdenum cluster compounds in solid-state chemistry, the AMo₅(Ti_0.7Mo_0.3)O₁₀ (A = Sr and Eu) compounds constitute an interesting family. Indeed, contrary to other reduced molybdenum compounds in which the Mo clusters are well ordered, the AMo₅(Ti_0.7Mo_0.3)O₁₀ compounds present a disordered mixture of bioctahedral Mo₁₀, Mo₁₁ (monocapped Mo₁₀ clusters) and Mo₁₂ clusters (bicapped Mo₁₀ clusters). Another intriguing feature of the latter compounds is the absence of solid solution between the Mo and Ti atoms and thus the quasi-invariance of the Mo:Ti ratio on the capping sites. We present here the crystal structure of the title isomorphous calcium compound, which has an Mo:Ti ratio slightly different to those observed for the Sr and Eu compounds.

As observed for the Sr and Eu compounds, the crystal structure of the title compound is based on a random mixture of Mo₁₀, Mo₁₁ (monocapped Mo₁₀ clusters) and Mo₁₂ (bicapped Mo₁₀ clusters) clusters due to the partial occupation of the capping Mo6 position (Fig. 1). The Mo₁₀ cluster results from the edge-sharing of two octahedral Mo₆ clusters and is similar to those previously observed in the R₁₆Mo₂₁O₅₆ (R = La to Nd) compounds (Gall & Gougeon, 1993; Gall et al., 1999). Consequently, atoms Mo1, Mo2, Mo3 and Mo4 are surrounded by five O atoms in a square-pyramidal environment and atoms Mo5 of the shared edge by four O atoms, forming a flattened tetrahedron. The capping atom Mo6 is in a distorted octahedral environment of O atoms, as previously observed for the bicapped Mo₆ cluster in NdMo₈O₁₄ (Gougeon et al., 1991). The Mo···Mo distances within the clusters range from 2.5927 (4) to 2.8744 (5) Å. The main differences between the present Ca and the Sr/Eu compounds concern the distances between the Mo5 atoms of the shared edge [2.8744 (5) and 2.85 Å in the Ca and Sr/Eu compounds, respectively] and those between the apical atoms Mo4 and Mo5 [2.5927 (4) and 2.6178 Å in the Ca and Sr/Eu compounds, respectively]. These variations are in agreement with previous findings in the infinite chains of edge-shared Mo₆ octahedra, which show that the bond distance between the Mo atoms of the shared edge is shorter when the apical–apical interaction is weaker, and longer when the interaction between the apex Mo atoms is stronger (Gall et al., 2002).

From Fig. 2(a), it is also interesting to note that the Mo clusters are arranged in layers perpendicular to the a axis (see below). As the shortest distance between Mo clusters is 3.1475 (4) Å within one layer and greater than 3.65 Å between adjacent layers, the structure can be considered to be two-dimensional with respect to the Mo network, although it is three-dimensional overall. The Mo—O distances range from 1.898 (4) to 2.149 (3) Å, as usually observed in reduced molybdenum oxides. The oxygen framework derives from the stacking of close-packed layers along the a direction in the sequence (···ABAC···). The B (y ≈ 1/4) and C (y ≈ 3/4) layers are entirely occupied by O atoms and thus have the composition [O₂₄]. In the A layers (y ≈ 0.0 and 1/2), one third of the O atoms are missing or substituted by the Ca ions in an ordered way. Consequently, the latter layers can be formulated [O₁₆Ca₄□₄] where □ stands for the oxygen vacancies. In this close packing, all the tetrahedral interstices are empty, while half of the octahedral interstices are filled by the Mo1, Mo2, Mo3, Mo4 and Mo5 atoms, which then form bioctahedral Mo₁₀ clusters. In addition, one tenth of the octahedral sites are occupied statistically by atoms Mo6 which cap the faces of the bioctahedral Mo₁₀ and by atoms Ti1 (Fig. 2).

The Ca²⁺ ions occupy large cavities which result from the fusion of two cubo-octahedra. They are surrounded by ten O atoms with six nearest neighbours at distances ranging from 2.354 (2) to 2.657 (3) Å (thick grey lines in Fig. 3) and four second nearest ones at distances between 2.850 (3) and 3.053 (3) Å (thin grey lines in Fig. 3). In the Sr and Eu compounds, the cation-to-oxygen distances range from 2.50 to 3.23 Å with no clear gap.

The Ti atom, which occupies at 62% a position 0.362 (2) Å from that of the capping Mo6 atom, obviously has the same environment in O atoms as the latter atom. It is thus surrounded by six O atoms, forming a highly distorted octahedron. The Ti—O distances vary between 1.848 (4) and 2.178 (4) Å with a mean value of 2.00 Å. The latter value is in good agreement with the distance of 2.005 Å expected from the sum of the ionic radii of O^2- and Ti⁴⁺ in octahedral coordination, according to Shannon & Prewitt (1969). The oxidation state of +4 for the Ti atoms was also confirmed from the Ti—O bond lengths using the relationship of Brown & Wu (1976) [s = (d_Ti—O/1.806)^-5.2] which leads to a value of +3.8.

The shortest Mo···Ti distance is 2.904 (3) Å and this is identical to those observed in the Eu [2.903 (2) Å] and Sr [2.905 (2) Å] compounds. Such values preclude the existence of metallic Ti—Mo bonds and thus the formation of heteronuclear clusters.

Bond-valence calculations (Reference?) performed on the Mo atoms led to values of 3.16, 3.23, 2.89, 2.73, 2.35 and 4.39 v.u. for atoms Mo1, Mo2, Mo3, Mo4, Mo5 and Mo6, respectively. This yields an average molybdenum oxidation state of +2.98 leading to about 34 electrons which are delocalized over the cluster. As expected, the oxidation state of the capping Mo6 atom is higher than those of the other Mo atoms. This is principally because atom Mo6 has the lowest coordination by other Mo atoms and therefore the fewest electrons available for metal-to-metal bonding.

Related literature

For related literature, see: Brown & Wu (1976); Gall & Gougeon (1993); Gall et al. (1999, 2002); Gougeon et al. (1991); Shannon & Prewitt (1969).

S2. Experimental

Single crystals of CaMo₅(Mo_0.38Ti_0.62)O₁₀ were obtained by the reaction of TiO₂, MoO₃, CaMoO₄ and Mo with the nominal composition CaMo₆Ti₂O₁₅. CaMoO₄ was prepared by heating a stoichiometric mixture of CaCO₃ and MoO₃ in an open porcelain crucible at 1073 K for 24 h. Mo powder was heated under a flow of H₂ at 1273 K for 6 h prior to use. The initial mixture (ca 5 g) was cold pressed and loaded into a molybdenum crucible, which was sealed under low argon pressure using an arc welding system. The charge was heated at the rate of 300 K h^-1 up to 1673 K and this temperature was held for 48 h. The vessel was then cooled at 100 K h^-1 down to 1373 K and finally furnace cooled. Subsequently, single-phase powders were obtained for compositons CaMo₅(Mo_{1 - x}Ti_x)O₁₀ with x ranging from 0.55 to 0.65.

S3. Refinement

The final refinement cycles included the atomic coordinates, the anisotropic displacement parameters for all atoms, and site-occupancy factors for the Mo6 and Ti1 sites, the sum of which was constrained to the unity. Refinement of the occupancy factors of the O atoms did not reveal defects in oxygen. Because of the disordering of the Mo6 and Ti1 atoms, a reciprocal-space reconstruction of different planes was carried out, as well as long-exposure rotations along the three axes on a single-crystal on the KappaCCD diffractometer. In both cases, no superlattice reflections or diffuse lines were observed.

Computing details

Data collection: COLLECT (Nonius, 1998); cell refinement: COLLECT (Nonius, 1998); data reduction: EVALCCD (Duisenberg, 1998); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures

	Fig. 1. The Mo–O cluster unit in CaMo5(Mo0.38Ti0.62)O10. The Mo atoms in black which fully occupy their site form the bioctahedral Mo10 cluster. The Mo atoms in light grey which cap the Mo10 cluster have an occupancy factor of 0.382 (3). Displacement ellipsoids are drawn at the 90% probability level.
	Fig. 2. (a) A view of CaMo5(Mo0.38Ti0.62)O10 along the b axis. Displacement ellipsoids are drawn at the 90% probability level. (b) A view of CaMo5(Mo0.38Ti0.62)O10 along the a axis. Displacement ellipsoids are drawn at the 90% probability level.
	Fig. 3. The environment of the Ca atoms (see Comment). [Symmetry codes: (i) ?; (ii) ?; (iii) ?; (iv) ?; (v) ?; (ix) ?. Please complete]

calcium pentamolybdenum titanium decaoxide

Crystal data

CaMo5(Mo0.38Ti0.62)O10	Dx = 6.402 Mg m^−3
Mr = 746.06	Mo Kα radiation, λ = 0.71069 Å
Orthorhombic, Pbca	Cell parameters from 19561 reflections
a = 8.9779 (1) Å	θ = 3.5–37.0°
b = 11.4442 (2) Å	µ = 9.77 mm^−1
c = 15.0673 (3) Å	T = 293 K
V = 1548.09 (4) Å^3	Irregular block, black
Z = 8	0.06 × 0.05 × 0.05 mm
F(000) = 2717

Data collection

Nonius KappaCCD diffractometer	4205 independent reflections
Radiation source: fine-focus sealed tube	2960 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromator	Rint = 0.072
Detector resolution: 9 pixels mm^-1	θmax = 38.0°, θmin = 3.5°
ϕ scans (κ = 0) + additional ω scan	h = −15→15
Absorption correction: analytical (de Meulenaer & Tompa, 1965)	k = −19→12
Tmin = 0.642, Tmax = 0.698	l = −26→26
43304 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)] = 0.035	w = 1/[σ^2(Fo^2) + (0.0142P)^2 + 4.7006P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.057	(Δ/σ)max = 0.001
S = 1.09	Δρmax = 1.75 e Å^−3
4205 reflections	Δρmin = −1.90 e Å^−3
166 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.00028 (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	Occ. (<1)
Ca1	−0.00932 (9)	0.10100 (7)	0.60112 (5)	0.01410 (14)
Mo1	0.38545 (3)	−0.05299 (3)	0.311983 (19)	0.00663 (5)
Mo2	0.37595 (3)	0.17575 (3)	0.635100 (18)	0.00617 (5)
Mo3	0.37327 (3)	−0.17091 (2)	0.473653 (18)	0.00459 (5)
Mo4	0.36526 (3)	−0.06436 (2)	0.625439 (18)	0.00467 (5)
Mo5	0.37084 (3)	0.06451 (2)	0.472172 (18)	0.00387 (5)
Mo6	0.6139 (2)	0.29361 (17)	0.69618 (15)	0.0042 (3)	0.382 (3)
Ti1	0.3649 (3)	−0.1813 (2)	0.79648 (19)	0.0047 (3)	0.618 (3)
O1	0.5101 (3)	0.4294 (2)	0.75624 (16)	0.0067 (4)
O2	0.4930 (3)	0.1762 (2)	0.74845 (19)	0.0151 (6)
O3	0.7493 (3)	0.1819 (2)	0.64105 (17)	0.0083 (5)
O4	0.2299 (3)	0.0579 (2)	0.68723 (16)	0.0071 (4)
O5	0.2547 (3)	−0.1954 (2)	0.69348 (16)	0.0071 (4)
O6	0.2383 (3)	0.1881 (2)	0.53083 (17)	0.0066 (4)
O7	0.2146 (3)	−0.0540 (2)	0.51961 (16)	0.0066 (4)
O8	0.5057 (3)	−0.1949 (2)	0.58162 (16)	0.0068 (4)
O9	0.2381 (3)	0.0637 (2)	0.35977 (16)	0.0078 (5)
O10	0.4931 (3)	−0.3028 (2)	0.41274 (18)	0.0107 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ca1	0.0145 (3)	0.0135 (3)	0.0142 (3)	0.0020 (3)	−0.0013 (3)	−0.0010 (3)
Mo1	0.00432 (11)	0.01140 (12)	0.00417 (11)	0.00049 (10)	−0.00020 (9)	0.00196 (10)
Mo2	0.00523 (11)	0.00835 (12)	0.00494 (11)	0.00277 (10)	0.00161 (9)	0.00203 (9)
Mo3	0.00431 (11)	0.00396 (11)	0.00550 (11)	−0.00046 (10)	−0.00017 (9)	0.00056 (8)
Mo4	0.00408 (11)	0.00577 (12)	0.00415 (11)	−0.00025 (9)	0.00040 (9)	−0.00011 (8)
Mo5	0.00364 (11)	0.00433 (12)	0.00365 (10)	0.00008 (9)	−0.00021 (8)	0.00029 (8)
Mo6	0.0047 (6)	0.0040 (7)	0.0040 (5)	−0.0007 (4)	−0.0010 (4)	−0.0008 (5)
Ti1	0.0060 (8)	0.0043 (9)	0.0037 (6)	0.0003 (6)	−0.0013 (5)	0.0006 (6)
O1	0.0078 (10)	0.0083 (12)	0.0040 (10)	0.0025 (9)	−0.0010 (8)	−0.0001 (8)
O2	0.0134 (12)	0.0093 (13)	0.0225 (15)	0.0047 (11)	−0.0117 (10)	−0.0071 (11)
O3	0.0093 (11)	0.0067 (12)	0.0089 (11)	0.0004 (9)	−0.0038 (9)	−0.0005 (8)
O4	0.0072 (10)	0.0071 (11)	0.0071 (11)	0.0003 (8)	0.0029 (8)	0.0005 (9)
O5	0.0073 (9)	0.0094 (10)	0.0047 (10)	−0.0032 (8)	−0.0010 (8)	0.0014 (9)
O6	0.0067 (10)	0.0072 (11)	0.0059 (10)	0.0024 (8)	−0.0011 (8)	−0.0012 (8)
O7	0.0054 (10)	0.0071 (10)	0.0072 (11)	−0.0016 (9)	0.0006 (8)	0.0005 (9)
O8	0.0071 (10)	0.0065 (10)	0.0067 (10)	−0.0010 (8)	−0.0010 (8)	0.0005 (8)
O9	0.0081 (10)	0.0077 (12)	0.0074 (11)	0.0015 (8)	−0.0022 (8)	−0.0017 (8)
O10	0.0053 (10)	0.0092 (11)	0.0176 (14)	0.0022 (9)	−0.0011 (9)	−0.0070 (10)

Geometric parameters (Å, º)

Ca1—O8^i	2.354 (2)	Mo4—Mo6^xii	3.147 (2)
Ca1—O2^ii	2.425 (3)	Mo5—O8^viii	2.028 (2)
Ca1—O3^iii	2.432 (3)	Mo5—O6	2.049 (2)
Ca1—O4	2.557 (3)	Mo5—O9	2.071 (2)
Ca1—O7^iv	2.645 (2)	Mo5—O7	2.078 (2)
Ca1—O6	2.657 (3)	Mo5—Mo3^viii	2.7252 (4)
Ca1—O9^iv	2.850 (3)	Mo5—Mo4^viii	2.7886 (4)
Ca1—O7	2.948 (3)	Mo5—Mo5^viii	2.8744 (5)
Ca1—O10^i	3.048 (3)	Mo6—Ti1^xi	0.362 (2)
Ca1—O1^v	3.053 (3)	Mo6—O2	1.898 (4)
Ca1—Mo1^vi	3.4107 (9)	Mo6—O10^viii	1.905 (3)
Ca1—Mo3^i	3.4632 (9)	Mo6—O3	1.950 (3)
Mo1—O1^vii	1.989 (2)	Mo6—O1	2.026 (3)
Mo1—O2^viii	2.002 (3)	Mo6—O5^xi	2.042 (3)
Mo1—O9	2.013 (2)	Mo6—O9^xiii	2.149 (3)
Mo1—O3^viii	2.034 (2)	Mo6—Mo1^viii	2.7564 (19)
Mo1—O4^ix	2.147 (2)	Mo6—Mo3^viii	2.921 (2)
Mo1—Mo2^viii	2.6829 (4)	Mo6—Mo4^xi	3.147 (2)
Mo1—Mo6^viii	2.7564 (19)	Ti1—Mo6^xii	0.362 (2)
Mo1—Mo5	2.7660 (4)	Ti1—O5	1.848 (4)
Mo1—Mo4^viii	2.7752 (4)	Ti1—O1^xii	1.870 (4)
Mo1—Mo3	2.7869 (4)	Ti1—O9^vi	1.891 (4)
Mo1—Ti1^x	3.056 (2)	Ti1—O3^xii	2.095 (4)
Mo1—Ca1^ix	3.4107 (9)	Ti1—O10^xiv	2.104 (4)
Mo2—O6	2.004 (2)	Ti1—O2^xii	2.178 (4)
Mo2—O10^viii	2.004 (3)	Ti1—Mo2^xii	3.025 (2)
Mo2—O2	2.005 (3)	Ti1—Mo1^xiv	3.056 (2)
Mo2—O4	2.038 (2)	Ti1—Mo3^xiv	3.161 (2)
Mo2—O5^i	2.079 (2)	Ti1—Ca1^xv	3.754 (3)
Mo2—Mo1^viii	2.6829 (4)	O1—Ti1^xi	1.870 (4)
Mo2—Mo6	2.6891 (18)	O1—Mo1^xvi	1.989 (2)
Mo2—Mo4	2.7534 (4)	O1—Mo4^xi	2.106 (2)
Mo2—Mo5	2.7657 (4)	O1—Ca1^i	3.053 (3)
Mo2—Mo3^viii	2.7852 (4)	O2—Mo1^viii	2.002 (3)
Mo2—Ti1^xi	3.025 (2)	O2—Ti1^xi	2.178 (4)
Mo3—O8	2.034 (2)	O2—Ca1^xv	2.425 (3)
Mo3—O3^viii	2.053 (2)	O3—Mo1^viii	2.034 (2)
Mo3—O10	2.068 (2)	O3—Mo3^viii	2.053 (2)
Mo3—O7	2.074 (2)	O3—Ti1^xi	2.095 (4)
Mo3—O6^v	2.086 (2)	O3—Ca1^xvii	2.432 (3)
Mo3—Mo4	2.5927 (4)	O4—Mo1^vi	2.147 (2)
Mo3—Mo5	2.6944 (4)	O5—Mo6^xii	2.042 (3)
Mo3—Mo5^viii	2.7252 (4)	O5—Mo2^v	2.079 (2)
Mo3—Mo2^viii	2.7852 (4)	O6—Mo3^i	2.086 (2)
Mo3—Mo6^viii	2.921 (2)	O7—Ca1^iv	2.645 (2)
Mo3—Ti1^x	3.161 (2)	O8—Mo5^viii	2.028 (2)
Mo4—O8	2.063 (2)	O8—Ca1^v	2.354 (2)
Mo4—O5	2.070 (2)	O9—Ti1^ix	1.891 (4)
Mo4—O4	2.074 (2)	O9—Mo6^xviii	2.149 (3)
Mo4—O7	2.095 (2)	O9—Ca1^iv	2.850 (3)
Mo4—O1^xii	2.106 (2)	O10—Mo6^viii	1.905 (3)
Mo4—Mo5	2.7406 (4)	O10—Mo2^viii	2.004 (3)
Mo4—Mo1^viii	2.7752 (4)	O10—Ti1^x	2.104 (4)
Mo4—Mo5^viii	2.7886 (4)	O10—Ca1^v	3.048 (3)
Mo4—Ti1	2.904 (3)
O8^i—Ca1—O2^ii	76.36 (9)	O5—Mo4—Mo1^viii	124.68 (7)
O8^i—Ca1—O3^iii	70.48 (8)	O4—Mo4—Mo1^viii	89.62 (7)
O2^ii—Ca1—O3^iii	68.98 (9)	O7—Mo4—Mo1^viii	138.77 (7)
O8^i—Ca1—O4	104.06 (9)	O1^xii—Mo4—Mo1^viii	45.59 (6)
O2^ii—Ca1—O4	65.61 (9)	Mo3—Mo4—Mo1^viii	120.324 (13)
O3^iii—Ca1—O4	134.13 (9)	Mo5—Mo4—Mo1^viii	90.637 (11)
O8^i—Ca1—O7^iv	97.23 (9)	Mo2—Mo4—Mo1^viii	58.060 (10)
O2^ii—Ca1—O7^iv	136.16 (9)	O8—Mo4—Mo5^viii	46.50 (7)
O3^iii—Ca1—O7^iv	68.08 (8)	O5—Mo4—Mo5^viii	131.92 (7)
O4—Ca1—O7^iv	153.49 (8)	O4—Mo4—Mo5^viii	137.30 (7)
O8^i—Ca1—O6	64.31 (8)	O7—Mo4—Mo5^viii	98.47 (6)
O2^ii—Ca1—O6	103.43 (9)	O1^xii—Mo4—Mo5^viii	89.70 (7)
O3^iii—Ca1—O6	134.56 (8)	Mo3—Mo4—Mo5^viii	60.720 (10)
O4—Ca1—O6	64.64 (8)	Mo5—Mo4—Mo5^viii	62.639 (11)
O7^iv—Ca1—O6	112.66 (8)	Mo2—Mo4—Mo5^viii	89.936 (11)
O8^i—Ca1—O9^iv	133.80 (8)	Mo1^viii—Mo4—Mo5^viii	59.622 (10)
O2^ii—Ca1—O9^iv	92.74 (8)	O8—Mo4—Ti1	87.19 (8)
O3^iii—Ca1—O9^iv	63.78 (8)	O5—Mo4—Ti1	39.30 (9)
O4—Ca1—O9^iv	111.90 (8)	O4—Mo4—Ti1	84.95 (8)
O7^iv—Ca1—O9^iv	60.35 (7)	O7—Mo4—Ti1	134.52 (9)
O6—Ca1—O9^iv	159.04 (8)	O1^xii—Mo4—Ti1	39.98 (8)
O8^i—Ca1—O7	122.36 (8)	Mo3—Mo4—Ti1	124.48 (5)
O2^ii—Ca1—O7	126.66 (8)	Mo5—Mo4—Ti1	174.78 (6)
O3^iii—Ca1—O7	159.94 (8)	Mo2—Mo4—Ti1	114.39 (5)
O4—Ca1—O7	61.50 (7)	Mo1^viii—Mo4—Ti1	85.54 (6)
O7^iv—Ca1—O7	93.78 (7)	Mo5^viii—Mo4—Ti1	117.94 (5)
O6—Ca1—O7	59.28 (7)	O8—Mo4—Mo6^xii	82.13 (8)
O9^iv—Ca1—O7	100.35 (7)	O5—Mo4—Mo6^xii	39.76 (8)
O8^i—Ca1—O10^i	61.63 (8)	O4—Mo4—Mo6^xii	89.99 (8)
O2^ii—Ca1—O10^i	137.89 (8)	O7—Mo4—Mo6^xii	135.89 (8)
O3^iii—Ca1—O10^i	97.79 (8)	O1^xii—Mo4—Mo6^xii	39.47 (8)
O4—Ca1—O10^i	120.13 (7)	Mo3—Mo4—Mo6^xii	120.59 (4)
O7^iv—Ca1—O10^i	57.74 (7)	Mo5—Mo4—Mo6^xii	175.34 (4)
O6—Ca1—O10^i	56.85 (7)	Mo2—Mo4—Mo6^xii	117.92 (4)
O9^iv—Ca1—O10^i	117.77 (7)	Mo1^viii—Mo4—Mo6^xii	84.95 (4)
O7—Ca1—O10^i	78.27 (7)	Mo5^viii—Mo4—Mo6^xii	113.56 (4)
O8^i—Ca1—O1^v	137.20 (8)	Ti1—Mo4—Mo6^xii	5.08 (7)
O2^ii—Ca1—O1^v	60.84 (7)	O8^viii—Mo5—O6	88.97 (10)
O3^iii—Ca1—O1^v	93.06 (8)	O8^viii—Mo5—O9	89.47 (10)
O4—Ca1—O1^v	59.29 (7)	O6—Mo5—O9	91.24 (10)
O7^iv—Ca1—O1^v	113.21 (7)	O8^viii—Mo5—O7	170.65 (9)
O6—Ca1—O1^v	123.26 (8)	O6—Mo5—O7	84.83 (10)
O9^iv—Ca1—O1^v	54.16 (7)	O9—Mo5—O7	83.69 (10)
O7—Ca1—O1^v	86.19 (7)	O8^viii—Mo5—Mo3	137.28 (7)
O10^i—Ca1—O1^v	160.98 (7)	O6—Mo5—Mo3	133.74 (7)
O1^vii—Mo1—O2^viii	90.14 (11)	O9—Mo5—Mo3	90.41 (7)
O1^vii—Mo1—O9	92.79 (10)	O7—Mo5—Mo3	49.47 (7)
O2^viii—Mo1—O9	171.18 (10)	O8^viii—Mo5—Mo3^viii	47.94 (7)
O1^vii—Mo1—O3^viii	175.29 (10)	O6—Mo5—Mo3^viii	92.98 (7)
O2^viii—Mo1—O3^viii	88.36 (11)	O9—Mo5—Mo3^viii	137.05 (7)
O9—Mo1—O3^viii	88.06 (10)	O7—Mo5—Mo3^viii	139.26 (7)
O1^vii—Mo1—O4^ix	85.43 (10)	Mo3—Mo5—Mo3^viii	115.941 (12)
O2^viii—Mo1—O4^ix	81.16 (10)	O8^viii—Mo5—Mo4	137.97 (7)
O9—Mo1—O4^ix	90.78 (9)	O6—Mo5—Mo4	89.85 (7)
O3^viii—Mo1—O4^ix	89.92 (9)	O9—Mo5—Mo4	132.56 (7)
O1^vii—Mo1—Mo2^viii	92.79 (7)	O7—Mo5—Mo4	49.21 (7)
O2^viii—Mo1—Mo2^viii	48.02 (8)	Mo3—Mo5—Mo4	56.978 (9)
O9—Mo1—Mo2^viii	139.98 (7)	Mo3^viii—Mo5—Mo4	90.198 (11)
O3^viii—Mo1—Mo2^viii	89.52 (7)	O8^viii—Mo5—Mo2	90.40 (7)
O4^ix—Mo1—Mo2^viii	129.17 (6)	O6—Mo5—Mo2	46.29 (7)
O1^vii—Mo1—Mo6^viii	133.65 (8)	O9—Mo5—Mo2	137.52 (7)
O2^viii—Mo1—Mo6^viii	43.52 (10)	O7—Mo5—Mo2	90.36 (7)
O9—Mo1—Mo6^viii	132.86 (8)	Mo3—Mo5—Mo2	116.921 (13)
O3^viii—Mo1—Mo6^viii	44.96 (8)	Mo3^viii—Mo5—Mo2	60.954 (10)
O4^ix—Mo1—Mo6^viii	86.31 (8)	Mo4—Mo5—Mo2	60.005 (10)
Mo2^viii—Mo1—Mo6^viii	59.24 (4)	O8^viii—Mo5—Mo1	89.03 (7)
O1^vii—Mo1—Mo5	92.84 (7)	O6—Mo5—Mo1	137.70 (7)
O2^viii—Mo1—Mo5	139.92 (8)	O9—Mo5—Mo1	46.49 (7)
O9—Mo1—Mo5	48.25 (7)	O7—Mo5—Mo1	90.86 (7)
O3^viii—Mo1—Mo5	91.19 (7)	Mo3—Mo5—Mo1	61.361 (10)
O4^ix—Mo1—Mo5	138.92 (6)	Mo3^viii—Mo5—Mo1	116.014 (12)
Mo2^viii—Mo1—Mo5	91.898 (12)	Mo4—Mo5—Mo1	118.327 (12)
Mo6^viii—Mo1—Mo5	121.65 (5)	Mo2—Mo5—Mo1	175.950 (14)
O1^vii—Mo1—Mo4^viii	49.15 (7)	O8^viii—Mo5—Mo4^viii	47.56 (7)
O2^viii—Mo1—Mo4^viii	93.21 (8)	O6—Mo5—Mo4^viii	136.17 (7)
O9—Mo1—Mo4^viii	95.00 (7)	O9—Mo5—Mo4^viii	93.30 (7)
O3^viii—Mo1—Mo4^viii	135.41 (7)	O7—Mo5—Mo4^viii	139.00 (7)
O4^ix—Mo1—Mo4^viii	134.37 (7)	Mo3—Mo5—Mo4^viii	89.819 (12)
Mo2^viii—Mo1—Mo4^viii	60.563 (10)	Mo3^viii—Mo5—Mo4^viii	56.084 (10)
Mo6^viii—Mo1—Mo4^viii	119.80 (4)	Mo4—Mo5—Mo4^viii	117.361 (11)
Mo5—Mo1—Mo4^viii	60.431 (10)	Mo2—Mo5—Mo4^viii	117.021 (12)
O1^vii—Mo1—Mo3	137.34 (7)	Mo1—Mo5—Mo4^viii	59.947 (10)
O2^viii—Mo1—Mo3	94.46 (8)	O8^viii—Mo5—Mo5^viii	93.07 (7)
O9—Mo1—Mo3	89.02 (7)	O6—Mo5—Mo5^viii	134.22 (7)
O3^viii—Mo1—Mo3	47.28 (7)	O9—Mo5—Mo5^viii	134.48 (7)
O4^ix—Mo1—Mo3	137.19 (7)	O7—Mo5—Mo5^viii	96.27 (7)
Mo2^viii—Mo1—Mo3	61.184 (10)	Mo3—Mo5—Mo5^viii	58.491 (11)
Mo6^viii—Mo1—Mo3	63.60 (5)	Mo3^viii—Mo5—Mo5^viii	57.450 (11)
Mo5—Mo1—Mo3	58.052 (10)	Mo4—Mo5—Mo5^viii	59.499 (11)
Mo4^viii—Mo1—Mo3	88.223 (11)	Mo2—Mo5—Mo5^viii	87.943 (13)
O1^vii—Mo1—Ti1^x	135.17 (9)	Mo1—Mo5—Mo5^viii	88.084 (13)
O2^viii—Mo1—Ti1^x	45.33 (10)	Mo4^viii—Mo5—Mo5^viii	57.862 (11)
O9—Mo1—Ti1^x	130.41 (9)	O2—Mo6—O10^viii	96.21 (14)
O3^viii—Mo1—Ti1^x	43.05 (9)	O2—Mo6—O3	93.96 (13)
O4^ix—Mo1—Ti1^x	82.98 (8)	O10^viii—Mo6—O3	89.06 (13)
Mo2^viii—Mo1—Ti1^x	63.24 (5)	O2—Mo6—O1	95.40 (14)
Mo6^viii—Mo1—Ti1^x	4.01 (8)	O10^viii—Mo6—O1	96.32 (14)
Mo5—Mo1—Ti1^x	123.21 (6)	O3—Mo6—O1	168.63 (14)
Mo4^viii—Mo1—Ti1^x	123.79 (5)	O2—Mo6—O5^xi	92.07 (14)
Mo3—Mo1—Ti1^x	65.33 (6)	O10^viii—Mo6—O5^xi	171.64 (16)
O1^vii—Mo1—Ca1^ix	62.47 (7)	O3—Mo6—O5^xi	91.56 (13)
O2^viii—Mo1—Ca1^ix	44.38 (8)	O1—Mo6—O5^xi	81.67 (12)
O9—Mo1—Ca1^ix	130.87 (7)	O2—Mo6—O9^xiii	175.54 (16)
O3^viii—Mo1—Ca1^ix	113.65 (7)	O10^viii—Mo6—O9^xiii	83.21 (14)
O4^ix—Mo1—Ca1^ix	48.51 (7)	O3—Mo6—O9^xiii	90.45 (13)
Mo2^viii—Mo1—Ca1^ix	86.108 (16)	O1—Mo6—O9^xiii	80.29 (11)
Mo6^viii—Mo1—Ca1^ix	78.28 (5)	O5^xi—Mo6—O9^xiii	88.45 (12)
Mo5—Mo1—Ca1^ix	155.042 (18)	O2—Mo6—Mo2	48.13 (9)
Mo4^viii—Mo1—Ca1^ix	97.556 (17)	O10^viii—Mo6—Mo2	48.09 (9)
Mo3—Mo1—Ca1^ix	138.503 (18)	O3—Mo6—Mo2	91.16 (9)
Ti1^x—Mo1—Ca1^ix	77.76 (6)	O1—Mo6—Mo2	99.90 (11)
O6—Mo2—O10^viii	91.64 (10)	O5^xi—Mo6—Mo2	140.20 (12)
O6—Mo2—O2	172.20 (10)	O9^xiii—Mo6—Mo2	131.22 (12)
O10^viii—Mo2—O2	89.82 (11)	O2—Mo6—Mo1^viii	46.59 (9)
O6—Mo2—O4	87.26 (10)	O10^viii—Mo6—Mo1^viii	91.03 (10)
O10^viii—Mo2—O4	174.89 (9)	O3—Mo6—Mo1^viii	47.50 (8)
O2—Mo2—O4	90.62 (11)	O1—Mo6—Mo1^viii	141.93 (12)
O6—Mo2—O5^i	86.21 (10)	O5^xi—Mo6—Mo1^viii	95.54 (11)
O10^viii—Mo2—O5^i	88.20 (10)	O9^xiii—Mo6—Mo1^viii	137.76 (11)
O2—Mo2—O5^i	86.18 (10)	Mo2—Mo6—Mo1^viii	59.02 (4)
O4—Mo2—O5^i	86.75 (10)	O2—Mo6—Mo3^viii	92.62 (10)
O6—Mo2—Mo1^viii	139.67 (7)	O10^viii—Mo6—Mo3^viii	44.90 (8)
O10^viii—Mo2—Mo1^viii	91.06 (7)	O3—Mo6—Mo3^viii	44.52 (8)
O2—Mo2—Mo1^viii	47.93 (8)	O1—Mo6—Mo3^viii	141.09 (12)
O4—Mo2—Mo1^viii	93.01 (7)	O5^xi—Mo6—Mo3^viii	136.05 (11)
O5^i—Mo2—Mo1^viii	134.10 (7)	O9^xiii—Mo6—Mo3^viii	90.07 (10)
O6—Mo2—Mo6	136.30 (8)	Mo2—Mo6—Mo3^viii	59.36 (4)
O10^viii—Mo2—Mo6	45.01 (9)	Mo1^viii—Mo6—Mo3^viii	58.71 (4)
O2—Mo2—Mo6	44.82 (10)	O2—Mo6—Mo4^xi	92.58 (11)
O4—Mo2—Mo6	135.32 (9)	O10^viii—Mo6—Mo4^xi	137.50 (12)
O5^i—Mo2—Mo6	87.00 (8)	O3—Mo6—Mo4^xi	131.74 (11)
Mo1^viii—Mo2—Mo6	61.74 (5)	O1—Mo6—Mo4^xi	41.36 (8)
O6—Mo2—Mo4	90.42 (7)	O5^xi—Mo6—Mo4^xi	40.41 (7)
O10^viii—Mo2—Mo4	136.52 (7)	O9^xiii—Mo6—Mo4^xi	84.94 (8)
O2—Mo2—Mo4	93.79 (7)	Mo2—Mo6—Mo4^xi	126.77 (8)
O4—Mo2—Mo4	48.52 (7)	Mo1^viii—Mo6—Mo4^xi	123.64 (8)
O5^i—Mo2—Mo4	135.27 (7)	Mo3^viii—Mo6—Mo4^xi	173.86 (8)
Mo1^viii—Mo2—Mo4	61.377 (10)	O5—Ti1—O1^xii	91.38 (15)
Mo6—Mo2—Mo4	123.12 (5)	Mo6^xii—Ti1—O9^vi	131.9 (9)
O6—Mo2—Mo5	47.65 (7)	O5—Ti1—O9^vi	102.92 (15)
O10^viii—Mo2—Mo5	91.40 (7)	O1^xii—Ti1—O9^vi	91.49 (15)
O2—Mo2—Mo5	139.99 (8)	O5—Ti1—O3^xii	92.85 (15)
O4—Mo2—Mo5	91.54 (7)	O1^xii—Ti1—O3^xii	172.35 (16)
O5^i—Mo2—Mo5	133.83 (7)	O9^vi—Ti1—O3^xii	93.77 (16)
Mo1^viii—Mo2—Mo5	92.064 (12)	O5—Ti1—O10^xiv	169.99 (17)
Mo6—Mo2—Mo5	123.22 (5)	O1^xii—Ti1—O10^xiv	94.82 (15)
Mo4—Mo2—Mo5	59.545 (10)	O9^vi—Ti1—O10^xiv	84.79 (16)
O6—Mo2—Mo3^viii	92.22 (7)	O3^xii—Ti1—O10^xiv	80.15 (13)
O10^viii—Mo2—Mo3^viii	47.83 (7)	O5—Ti1—O2^xii	89.26 (16)
O2—Mo2—Mo3^viii	94.44 (9)	O1^xii—Ti1—O2^xii	91.36 (15)
O4—Mo2—Mo3^viii	137.18 (7)	O9^vi—Ti1—O2^xii	167.41 (18)
O5^i—Mo2—Mo3^viii	135.97 (7)	O3^xii—Ti1—O2^xii	82.33 (13)
Mo1^viii—Mo2—Mo3^viii	61.249 (10)	O10^xiv—Ti1—O2^xii	82.76 (12)
Mo6—Mo2—Mo3^viii	64.47 (5)	O5—Ti1—Mo4	45.21 (9)
Mo4—Mo2—Mo3^viii	88.694 (12)	O1^xii—Ti1—Mo4	46.38 (9)
Mo5—Mo2—Mo3^viii	58.804 (10)	O9^vi—Ti1—Mo4	96.91 (11)
O6—Mo2—Ti1^xi	134.69 (9)	O3^xii—Ti1—Mo4	138.04 (14)
O10^viii—Mo2—Ti1^xi	43.87 (9)	O10^xiv—Ti1—Mo4	141.11 (14)
O2—Mo2—Ti1^xi	45.99 (10)	O2^xii—Ti1—Mo4	93.93 (12)
O4—Mo2—Ti1^xi	136.15 (9)	O5—Ti1—Mo2^xii	130.61 (14)
O5^i—Mo2—Ti1^xi	84.61 (9)	O1^xii—Ti1—Mo2^xii	92.85 (12)
Mo1^viii—Mo2—Ti1^xi	64.40 (5)	O9^vi—Ti1—Mo2^xii	126.10 (14)
Mo6—Mo2—Ti1^xi	2.69 (9)	O3^xii—Ti1—Mo2^xii	79.57 (9)
Mo4—Mo2—Ti1^xi	125.77 (5)	O10^xiv—Ti1—Mo2^xii	41.32 (8)
Mo5—Mo2—Ti1^xi	124.35 (6)	O2^xii—Ti1—Mo2^xii	41.47 (8)
Mo3^viii—Mo2—Ti1^xi	65.77 (5)	Mo4—Ti1—Mo2^xii	123.43 (10)
O6—Mo2—Ca1	46.58 (7)	O5—Ti1—Mo1^xiv	90.54 (12)
O10^viii—Mo2—Ca1	133.23 (7)	O1^xii—Ti1—Mo1^xiv	132.12 (14)
O2—Mo2—Ca1	128.71 (9)	O9^vi—Ti1—Mo1^xiv	134.34 (14)
O4—Mo2—Ca1	43.91 (7)	O3^xii—Ti1—Mo1^xiv	41.51 (8)
O5^i—Mo2—Ca1	71.74 (7)	O10^xiv—Ti1—Mo1^xiv	79.48 (9)
Mo1^viii—Mo2—Ca1	133.238 (17)	O2^xii—Ti1—Mo1^xiv	40.83 (8)
Mo6—Mo2—Ca1	158.64 (5)	Mo4—Ti1—Mo1^xiv	121.77 (10)
Mo4—Mo2—Ca1	73.849 (16)	Mo2^xii—Ti1—Mo1^xiv	52.36 (3)
Mo5—Mo2—Ca1	75.430 (16)	O5—Ti1—Mo3^xiv	132.46 (14)
Mo3^viii—Mo2—Ca1	133.499 (17)	O1^xii—Ti1—Mo3^xiv	135.00 (14)
Ti1^xi—Mo2—Ca1	156.33 (5)	O9^vi—Ti1—Mo3^xiv	88.07 (12)
O8—Mo3—O3^viii	168.16 (9)	O3^xii—Ti1—Mo3^xiv	39.85 (8)
O8—Mo3—O10	87.27 (10)	O10^xiv—Ti1—Mo3^xiv	40.32 (8)
O3^viii—Mo3—O10	81.99 (10)	O2^xii—Ti1—Mo3^xiv	81.26 (10)
O8—Mo3—O7	102.81 (10)	Mo4—Ti1—Mo3^xiv	174.88 (10)
O3^viii—Mo3—O7	87.26 (9)	Mo2^xii—Ti1—Mo3^xiv	53.46 (4)
O10—Mo3—O7	167.54 (10)	Mo1^xiv—Ti1—Mo3^xiv	53.23 (4)
O8—Mo3—O6^v	81.13 (10)	O5—Ti1—Ca1^xv	125.57 (12)
O3^viii—Mo3—O6^v	92.47 (9)	O1^xii—Ti1—Ca1^xv	53.91 (10)
O10—Mo3—O6^v	82.43 (10)	O9^vi—Ti1—Ca1^xv	47.75 (10)
O7—Mo3—O6^v	91.80 (9)	O3^xii—Ti1—Ca1^xv	127.29 (13)
O8—Mo3—Mo4	51.25 (7)	O10^xiv—Ti1—Ca1^xv	64.38 (10)
O3^viii—Mo3—Mo4	139.16 (7)	O2^xii—Ti1—Ca1^xv	126.58 (12)
O10—Mo3—Mo4	138.51 (7)	Mo4—Ti1—Ca1^xv	88.16 (6)
O7—Mo3—Mo4	51.90 (7)	Mo2^xii—Ti1—Ca1^xv	95.40 (7)
O6^v—Mo3—Mo4	89.21 (7)	Mo1^xiv—Ti1—Ca1^xv	143.80 (8)
O8—Mo3—Mo5	98.42 (7)	Mo3^xiv—Ti1—Ca1^xv	96.10 (7)
O3^viii—Mo3—Mo5	92.85 (7)	Ti1^xi—O1—Mo1^xvi	177.10 (16)
O10—Mo3—Mo5	136.92 (7)	Mo1^xvi—O1—Mo6	173.18 (15)
O7—Mo3—Mo5	49.60 (7)	Ti1^xi—O1—Mo4^xi	93.64 (13)
O6^v—Mo3—Mo5	140.64 (7)	Mo1^xvi—O1—Mo4^xi	85.26 (9)
Mo4—Mo3—Mo5	62.408 (11)	Mo6—O1—Mo4^xi	99.17 (12)
O8—Mo3—Mo5^viii	47.77 (7)	Ti1^xi—O1—Ca1^i	96.43 (13)
O3^viii—Mo3—Mo5^viii	137.00 (7)	Mo1^xvi—O1—Ca1^i	82.23 (8)
O10—Mo3—Mo5^viii	91.18 (7)	Mo6—O1—Ca1^i	98.77 (11)
O7—Mo3—Mo5^viii	101.00 (7)	Mo4^xi—O1—Ca1^i	128.86 (10)
O6^v—Mo3—Mo5^viii	128.82 (7)	Mo6—O2—Mo1^viii	89.89 (14)
Mo4—Mo3—Mo5^viii	63.196 (10)	Mo6—O2—Mo2	87.04 (13)
Mo5—Mo3—Mo5^viii	64.059 (12)	Mo1^viii—O2—Mo2	84.05 (10)
O8—Mo3—Mo2^viii	89.74 (7)	Mo1^viii—O2—Ti1^xi	93.84 (14)
O3^viii—Mo3—Mo2^viii	86.37 (7)	Mo2—O2—Ti1^xi	92.54 (14)
O10—Mo3—Mo2^viii	45.90 (7)	Mo6—O2—Ca1^xv	130.10 (14)
O7—Mo3—Mo2^viii	139.88 (7)	Mo1^viii—O2—Ca1^xv	100.35 (11)
O6^v—Mo3—Mo2^viii	128.02 (7)	Mo2—O2—Ca1^xv	142.24 (14)
Mo4—Mo3—Mo2^viii	123.419 (13)	Ti1^xi—O2—Ca1^xv	124.16 (13)
Mo5—Mo3—Mo2^viii	91.237 (12)	Mo6—O3—Mo1^viii	87.53 (11)
Mo5^viii—Mo3—Mo2^viii	60.242 (10)	Mo6—O3—Mo3^viii	93.72 (11)
O8—Mo3—Mo1	137.88 (7)	Mo1^viii—O3—Mo3^viii	85.99 (9)
O3^viii—Mo3—Mo1	46.73 (7)	Mo1^viii—O3—Ti1^xi	95.44 (12)
O10—Mo3—Mo1	86.86 (8)	Mo3^viii—O3—Ti1^xi	99.30 (12)
O7—Mo3—Mo1	90.36 (7)	Mo6—O3—Ca1^xvii	155.53 (13)
O6^v—Mo3—Mo1	138.99 (7)	Mo1^viii—O3—Ca1^xvii	109.88 (10)
Mo4—Mo3—Mo1	122.981 (13)	Mo3^viii—O3—Ca1^xvii	104.25 (10)
Mo5—Mo3—Mo1	60.586 (10)	Ti1^xi—O3—Ca1^xvii	146.26 (13)
Mo5^viii—Mo3—Mo1	90.710 (11)	Mo2—O4—Mo4	84.07 (9)
Mo2^viii—Mo3—Mo1	57.567 (10)	Mo2—O4—Mo1^vi	131.69 (12)
O8—Mo3—Mo6^viii	127.80 (8)	Mo4—O4—Mo1^vi	131.15 (12)
O3^viii—Mo3—Mo6^viii	41.76 (8)	Mo2—O4—Ca1	102.54 (10)
O10—Mo3—Mo6^viii	40.54 (8)	Mo4—O4—Ca1	113.23 (11)
O7—Mo3—Mo6^viii	129.03 (8)	Mo1^vi—O4—Ca1	92.52 (8)
O6^v—Mo3—Mo6^viii	90.50 (8)	Ti1—O5—Mo4	95.49 (13)
Mo4—Mo3—Mo6^viii	179.04 (5)	Mo6^xii—O5—Mo4	99.83 (11)
Mo5—Mo3—Mo6^viii	118.28 (4)	Ti1—O5—Mo2^v	136.02 (15)
Mo5^viii—Mo3—Mo6^viii	116.36 (4)	Mo6^xii—O5—Mo2^v	128.80 (13)
Mo2^viii—Mo3—Mo6^viii	56.17 (4)	Mo4—O5—Mo2^v	125.08 (12)
Mo1—Mo3—Mo6^viii	57.69 (4)	Mo2—O6—Mo5	86.06 (9)
O8—Mo3—Ti1^x	128.11 (8)	Mo2—O6—Mo3^i	132.42 (12)
O3^viii—Mo3—Ti1^x	40.85 (8)	Mo5—O6—Mo3^i	129.41 (13)
O10—Mo3—Ti1^x	41.16 (9)	Mo2—O6—Ca1	100.20 (10)
O7—Mo3—Ti1^x	127.66 (8)	Mo5—O6—Ca1	113.52 (10)
O6^v—Mo3—Ti1^x	85.61 (8)	Mo3^i—O6—Ca1	93.04 (9)
Mo4—Mo3—Ti1^x	174.79 (5)	Mo3—O7—Mo5	80.93 (8)
Mo5—Mo3—Ti1^x	121.86 (5)	Mo3—O7—Mo4	76.92 (8)
Mo5^viii—Mo3—Ti1^x	120.79 (5)	Mo5—O7—Mo4	82.11 (8)
Mo2^viii—Mo3—Ti1^x	60.77 (5)	Mo3—O7—Ca1^iv	96.76 (9)
Mo1—Mo3—Ti1^x	61.44 (5)	Mo5—O7—Ca1^iv	111.51 (10)
Mo6^viii—Mo3—Ti1^x	5.10 (7)	Mo4—O7—Ca1^iv	164.17 (12)
O8—Mo4—O5	85.81 (10)	Mo3—O7—Ca1	174.62 (11)
O8—Mo4—O4	171.95 (10)	Mo5—O7—Ca1	102.19 (9)
O5—Mo4—O4	89.18 (10)	Mo4—O7—Ca1	99.06 (9)
O8—Mo4—O7	101.09 (10)	Ca1^iv—O7—Ca1	86.22 (7)
O5—Mo4—O7	96.23 (9)	Mo5^viii—O8—Mo3	84.29 (9)
O4—Mo4—O7	85.70 (10)	Mo5^viii—O8—Mo4	85.94 (9)
O8—Mo4—O1^xii	85.50 (9)	Mo3—O8—Mo4	78.52 (8)
O5—Mo4—O1^xii	79.12 (9)	Mo5^viii—O8—Ca1^v	140.56 (12)
O4—Mo4—O1^xii	87.37 (10)	Mo3—O8—Ca1^v	104.00 (10)
O7—Mo4—O1^xii	171.71 (9)	Mo4—O8—Ca1^v	133.38 (12)
O8—Mo4—Mo3	50.23 (7)	Ti1^ix—O9—Mo1	127.83 (15)
O5—Mo4—Mo3	96.28 (7)	Ti1^ix—O9—Mo5	133.72 (15)
O4—Mo4—Mo3	136.85 (7)	Mo1—O9—Mo5	85.26 (9)
O7—Mo4—Mo3	51.18 (7)	Mo1—O9—Mo6^xviii	134.81 (14)
O1^xii—Mo4—Mo3	135.72 (7)	Mo5—O9—Mo6^xviii	128.03 (13)
O8—Mo4—Mo5	96.25 (7)	Ti1^ix—O9—Ca1^iv	102.84 (13)
O5—Mo4—Mo5	144.68 (7)	Mo1—O9—Ca1^iv	96.23 (9)
O4—Mo4—Mo5	91.48 (7)	Mo5—O9—Ca1^iv	104.38 (10)
O7—Mo4—Mo5	48.68 (6)	Mo6^xviii—O9—Ca1^iv	102.10 (11)
O1^xii—Mo4—Mo5	136.20 (7)	Mo6^viii—O10—Mo2^viii	86.90 (13)
Mo3—Mo4—Mo5	60.614 (10)	Mo6^viii—O10—Mo3	94.56 (12)
O8—Mo4—Mo2	135.91 (7)	Mo2^viii—O10—Mo3	86.28 (10)
O5—Mo4—Mo2	135.52 (7)	Mo2^viii—O10—Ti1^x	94.82 (13)
O4—Mo4—Mo2	47.41 (6)	Mo3—O10—Ti1^x	98.52 (13)
O7—Mo4—Mo2	90.34 (7)	Mo6^viii—O10—Ca1^v	147.84 (13)
O1^xii—Mo4—Mo2	88.31 (6)	Mo2^viii—O10—Ca1^v	124.68 (11)
Mo3—Mo4—Mo2	120.998 (13)	Mo3—O10—Ca1^v	82.83 (9)
Mo5—Mo4—Mo2	60.451 (9)	Ti1^x—O10—Ca1^v	140.40 (13)
O8—Mo4—Mo1^viii	88.07 (7)

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