Structure and ³¹P NMR spectroscopy of a new phosphate, Na₈Ca_1.5Mg_12.5(PO₄)₁₂

A new phosphate, sodium calcium magnesium tetra­kis(phosphate), Na₈Ca_1.5Mg_12.5(PO₄)₁₂, has been synthesized by a flux method. Its novel structure consists of MgO_x (x = 5 and 6) polyhedra and MO₇ (M = Mg or Na) octa­hedra linked directly through common corners or edges to form a rigid three-dimensional skeleton, reinforced by corner-sharing between identical Mg₁₂MO₄₈ units. The connection of these units by the PO₄ tetra­hedra induces cavities and crossing tunnels where the Na⁺ and Ca²⁺ cations are located. This structural model was supported by a ³¹P NMR spectroscopy study which confirmed the existence of 12 crystallographically independent sites for the P atoms.

S1. Comment

Alkaline and alkaline earth monophosphates have attracted much attention for their excellent physical properties, high chemical stability and environment-friendly attributes, offering a wide range of applications in the fields of optics, magnetism and ionic conductivity (Kanazawa & Kodansha, 1989; Blasse & Grabmaier, 1994; Goodenough et al., 1976). In the Na–Mg–Ca–P–O system, only four monophosphates have been described to date. The brianite Na₂MgCa(PO₄)₂ crystallizes in the monoclinic system in space group P2₁/c (Fuchs et al., 1967). An isomorphism with the mineral merwinite, Ca₃Mg(SiO₄)₂, was reported by Moore (1975) and confirmed by Alkemper & Fuess (1998), who also demonstrated the existence of a reversible phase transition at 808 (5) K. Three other compounds, Na₁₈Ca₁₃Mg₅(PO₄)₁₈ (Alkemper & Fuess, 1998), Na₄Ca₄Mg₂₁(PO₄)₁₈ (Domanskii et al., 1982) and NaCa₉Mg(PO₄)₇ (Morozov et al., 1997), have trigonal symmetries in space groups R3m, R3 and R3c, respectively.

As a contribution to the investigation of the above system, we report here the structural characterization of the new title compound, Na₈Ca_1.5Mg_12.5(PO₄)₁₂, which was isolated as single crystals during an attempt to crystallize Na₂CaMg₇(PO₄)₆ using the flux method. The cell parameters resemble those reported for the mineral panethite, (Na,K,Ca)_1.76(Mg,Fe,Mn)_1.98(PO₄)₂ (Fuchs et al., 1967), and the so-called `X phase' of Hatert et al. (2006). Nevertheless, the existence of structural relationships with these phases cannot be proved because their structures have not yet been described.

Projections of the structure of Na₈Ca_1.5Mg_12.5(PO₄)₁₂ along a and b (Figs. 1a and 1b) show that the three-dimensional framework is constructed by MgO_x (x = 5 or 6) and MO₇ (M = Na or Mg) octahedra and PO₄ tetrahedra, which form cavities and intersecting tunnels occupied by Na⁺ cations. Although the framework is highly complex, it can be easily described by considering that all the Mg and M polyhedra are linked directly by sharing either corners or edges to form a rigid skeleton, which can be described as formed by the connection of identical Mg₁₂MO₄₈ units. Each of these units (Fig. 2) consists of two segments of four edge-sharing polyhedra. The first is made up of three MgO₆ octahedra and one MgO₅ trigonal bipyramid, while the second is formed by two MgO₅ trigonal bipyramids, one MgO₆ octahedron and one MO₇ polyhedron. Adjacent segments are coupled through common corners of their polyhedra, giving rise to an Mg₇MO₃₂ octanuclear cycle. This cycle is bridged on one side by an Mg₂O₉ unit of edge-sharing MgO₅ and MgO₆ polyhedra, and on the opposite side is connected to one Mg₃O₁₅ unit consisting of one MgO₆ and two MgO₅ polyhedra, linked by corner-sharing with a Y shape. The space formed by the Mg/M/O network is filled by the PO₄ tetrahedra, and the resulting framework delimits both cavities and intersecting tunnels, containing a distribution of Na⁺ and Ca²⁺ cations.

There are 12 distinct Mg sites, labelled Mgi (i = 1–11, 13). Site Mg1 is [4+1]-coordinated, with four short Mg1—O distances [1.934 (3)–1.991 (3) Å] and a fifth longer one of 2.588 (3) Å. The average value of 1.963 (3) Å calculated from the four short distances is consistent with 1.93 (2) Å reported for the tetrahedral Mg²⁺ cation in KMgPO₄ (Wallez et al., 1998). Sites Mg2–Mg6 are five-coordinated, with Mg—O distances in the range 1.915 (6)–2.143 (3) Å. The corresponding average values are close to those reported by Jaulmes et al. (1997) for the same cation with similar coordination. Sites Mg7 and Mg8 are [5+1]-coordinated, with Mg—O distances in the range 1.993 (3)–2.707 (4) Å for Mg7 and 2.043 (3)–2.504 (4) Å for Mg8. Sites Mg9–Mg11 and Mg13 are six-coordinated, with Mg—O distances in the range 2.002 (3)–2.299 (3) Å, leading to average values consistent with those observed for octahedral Mg²⁺ cations (Jaulmes et al., 1997). The M12 site is statistically occupied by Mg and Na, with partial occupancy 0.5:0.5. This site has a [6+1] coordination, with six short distances between 2.045 (3) and 2.291 (3) Å, and a long one of 2.647 (4) Å. The mean distance of 2.266 (4) Å agrees with that of 2.23 (3) Å reported for the disordered octahedral (Mg,Na) site in the molybdate Na₂Mg₅(MoO₄)₆ (Klevtsova et al., 1980). The PO₄ tetrahedra are rather regular, with classical P—O distances (Baur, 1974) except for P9O₄, for which the observed strong distortion can be explained by the delocalization of atoms O93 and O94 over two positions (O93A and O93B, and O94A and O94B) which cannot be occupied simultaneously due to their short distance. This disorder leads to four different orientations of the P9O₄ tetrahedron which occur statistically.

The environments of the seven crystallographically distinct pure Na sites were determined assuming a maximum cation–oxygen distance L_max = 3.13 Å, as suggested by Donnay & Allmann (1970). The Na1 environment then consists of five O atoms, with Na—O distances varying from 2.186 (3) to 2.499 (3) Å. That of Na2 is formed by eight O atoms, with Na—O distances in the range 2.270 (8)–3.001 (4) Å. Sites Na4, Na5 and Na7 are bonded to seven O atoms, with Na—O distances between 2.245 (7) and 2.861 (4) Å. Each of the Na3 and Na6 atoms is distributed over two sites (Na3A and Na3B, and Na6A and Na6B) having a sum occupancy of 1. Most of the Na atoms are found in the A-type positions, with a [7] coordination and Na—O distances in the range 2.211 (3)–2.988 (4) Å for Na3A and 2.455 (3)–2.963 (3) Å for Na6A. The B positions, containing small fractions of Na, have sevenfold coordination for Na3B and sixfold coordination for Na6B, with Na—O distances in the ranges 2.234 (8)–2.992 (8) and 2.34 (2)–2.92 (2) Å, respectively.

The Ca²⁺ cations are distributed over two distinct sites. Site Ca1 is exclusively occupied by Ca²⁺, being coordinated by eight O atoms with Ca—O distances in the range 2.373 (3)–2.792 (3) Å. The (Ca,Na) site is statistically occupied by Na⁺ and Ca²⁺. These cations have identical occupancies of 0.5:0.5 and slightly different positions. Both are seven-coordinated, with cation–oxygen distances in the range 2.245 (4)–2.536 (4) Å for Ca and 2.268 (11)–2.616 (11) Å for Na.

A bond-valence sum (BVS) calculation was performed using the empirical values of Brown & Altermatt (1985). The calculated BVS for all the anionic and cationic sites are consistent with their formal charges. In particular, the values obtained for the (Ca,Na) and M12 sites (1.65 and 1.63, respectively) confirm the disorder within these sites.

The ³¹P NMR spectrum (Fig. 3) consists of a dissymmetric and too-broad signal arising from the overlap of many sites. It could be fitted by five resonance peaks with chemical shifts of 5.86, 3.39, 2.29, 0.49 and -2.48 p.p.m., in agreement with the values found in other monophosphates (Benmokhtar et al., 2007; Turner et al., 1986). These peaks could be integrated in a ratio of 1:4:4:2:1, leading to 12 resonances in accordance with the 12 crystallographically distinct P sites in the structure.

Related literature

For related literature, see: Alkemper & Fuess (1998); Altomare et al. (1993); Baur (1974); Benmokhtar et al. (2007); Blasse & Grabmaier (1994); Brown & Altermatt (1985); Domanskii et al. (1982); Donnay & Allmann (1970); Fuchs et al. (1967); Goodenough et al. (1976); Hatert et al. (2006); Jaulmes et al. (1997); Kanazawa & Kodansha (1989); Klevtsova et al. (1980); Moore (1975); Morozov et al. (1997); Turner et al. (1986); Wallez et al. (1998).

S2. Experimental

Na₈Ca_1.5Mg_12.5(PO₄)₁₂ was extracted from a mixture of nominal composition Na₂CaMg₇(PO₄)₆, prepared in a flux of sodium molybdate, Na₂MoO₄, with an atomic ratio P:Mo = 2:1. Appropriate amounts of the starting reactants NH₄H₂PO₄, Na₂CO₃, CaCO₃, MgCO₃ and Na₂MoO₄ were homogenized by grinding in an agate mortar, and subsequently heated in a platinum crucible for 24 h at 673 K and then for 12 h at 873 K. After being reground, the sample was melted for 2 h at 1273 K then slowly cooled to 773 K at 10 K h^-1, after which the furnace was turned off. The solidified melt was washed with boiling water to dissolve the flux. From the mixture, colourless and irregularly shaped crystals were extracted. ICP analysis indicated the presence of Na, Ca, Mg and P in an atomic ratio of approximately 7.9 (2):1.5 (1):13.5 (3):12.0 (2), in accordance with the Na₈Ca_1.5Mg_12.5(PO₄)₁₂ composition.

S3. Refinement

The structure was solved by the direct methods (Altomare et al., 1993) which gave one position for the Ca atoms. Subsequent inspection of the difference electron-density maps revealed a second position for Ca, 13 for Mg, seven for Na, 12 for P and 48 for O atoms. However, three anomalies have been revealed: (i) large displacement parameters for the Ca2 atoms, (ii) very long Mg—O distances within the M12 polyhedra and (iii) significant residual electron densities at unusual short distances of 0.813 Å from Na3 and 2.55 Å from Na6.

Taking into account the electrical neutrality of the compound and the result of the ICP analysis, statistical distributions of (0.5Na8 + 0.5Ca8) within the second Ca site and of (0.5Na + 0.5Mg) within the M12 sites were considered. Each of the Na3 and Na6 sites was disordered over two positions, labeled A and B, having the sum of their occupancies restrained to be equal to 1. These positions cannot be filled simultaneously due to their proximity. The refined site occupation factors were 0.728 (3), 0.272 (3), 0.913 (3) and 0.087 (3) for atoms Na3A, Na3B, Na6A and Na6B, respectively. Furthermore, disorder of the O atoms around P9 was indicated by the existence of significant residual electron density near atoms O93 and O94. Two positions, labeled A and B, were modelled for atoms O93 and O94, and the sum of the occupancies of each disordered pair were restrained to be equal to 1. These disordered atoms were refined isotropically and the refined site-occupation factors were 0.647 (3), 0.353 (3), 0.572 (3) and 0.428 (3) for atoms O93A, O93B, O94A and O94B, respectively. In addition, the P9—O92, P9—O93A, P9—O93B, P9—O94A and P9—O94B distances were restrained using a target value of 1.540 (2) Å. Several significant peaks (1.11–1.85 e Å^-3) of residual electron density remain in the plane of the O92, O93A/B, O94A/B atoms, which suggests that the P9O₄ group is highly disordered by rotation about the P9—O91 bond, but further attempts to model the disorder were not fruitful.

Computing details

Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS (Enraf–Nonius, 1994); data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS86 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures

	Fig. 1. Projections of the Na8Ca1.5Mg12.5(PO4)12 structure along (a) a and (b) b.
	Fig. 2. A depiction of the construction of the structure: (a) the two segments of four edge-sharing polyhedra; (b) the Mg7MO32 octanuclear loop; (c) the entire Mg12MO48 unit. [Symmetry codes: (i) x-1/2, -y+3/2, z-1/2; (ii) -x-1/2, y+1/2, -z+1/2; (iii) -x, -y+2, -z; (iv) x-1, y, z; (v) -x, -y+1, -z.]
	Fig. 3. The observed ^31P NMR spectrum and its deconvolution. [Poor quality figure - is it possible to provide a sharper image?]

sodium calcium magnesium tetrakis(phosphate)

Crystal data

Na8Ca1.5Mg12.5(PO4)12	F(000) = 3328
Mr = 1687.56	Dx = 2.892 Mg m^−3
Monoclinic, P21/n	Melting point: 1072 K
Hall symbol: -P 2yn	Mo Kα radiation, λ = 0.71073 Å
a = 10.185 (8) Å	Cell parameters from 25 reflections
b = 14.860 (8) Å	θ = 7.8–9.9°
c = 25.610 (9) Å	µ = 1.18 mm^−1
β = 90.87 (2)°	T = 293 K
V = 3876 (4) Å^3	Plate, colourless
Z = 4	0.40 × 0.11 × 0.10 mm

Data collection

Enraf–Nonius TurboCAD-4 diffractometer	8933 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.065
Graphite monochromator	θmax = 30.0°, θmin = 2.1°
non–profiled ω scans	h = −1→14
Absorption correction: analytical (de Meulenaer & Tompa, 1965)	k = −1→20
Tmin = 0.75, Tmax = 0.89	l = −35→35
13798 measured reflections	2 standard reflections every 120 min
11269 independent 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)] = 0.051	w = 1/[σ^2(Fo^2) + (0.0673P)^2 + 11.5875P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.133	(Δ/σ)max = 0.003
S = 1.04	Δρmax = 1.85 e Å^−3
11269 reflections	Δρmin = −1.69 e Å^−3
761 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
11 restraints	Extinction coefficient: 0.00040 (9)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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	0.03890 (6)	0.75887 (4)	0.20047 (3)	0.01083 (13)
Ca8	−0.0510 (3)	1.1548 (2)	0.18414 (12)	0.0078 (5)	0.50
Na8	−0.0417 (10)	1.1536 (7)	0.1851 (4)	0.047 (3)	0.50
Mg1	0.13318 (12)	0.25939 (7)	0.28896 (5)	0.0122 (2)
Mg2	0.02687 (11)	0.35899 (8)	0.43806 (4)	0.0114 (2)
Mg3	−0.00689 (11)	0.86855 (7)	0.06842 (4)	0.0097 (2)
Mg4	−0.24552 (11)	0.54964 (8)	−0.00055 (4)	0.0106 (2)
Mg5	−0.24876 (11)	0.51893 (8)	0.25547 (4)	0.0101 (2)
Mg6	0.25457 (11)	1.05874 (8)	0.12340 (5)	0.0111 (2)
Mg7	0.47780 (12)	0.64239 (8)	0.05845 (4)	0.0118 (2)
Mg8	−0.00928 (11)	0.63197 (8)	0.06249 (4)	0.0107 (2)
Mg9	0.00964 (11)	0.89623 (7)	0.31407 (4)	0.0086 (2)
Mg10	0.25012 (11)	0.98214 (8)	0.38009 (4)	0.0099 (2)
Mg11	−0.02663 (11)	0.37053 (7)	0.18538 (4)	0.0094 (2)
Mg12	−0.00598 (12)	0.62661 (8)	0.31431 (5)	0.0103 (2)	0.5000 (1)
Na12	−0.00598 (12)	0.62661 (8)	0.31431 (5)	0.0103 (2)	0.5000 (2)
Mg13	−0.25273 (12)	0.44846 (9)	0.49955 (5)	0.0173 (3)
Na1	−0.17658 (18)	0.26079 (13)	0.35346 (7)	0.0289 (4)
Na2	−0.41066 (19)	0.24819 (11)	0.57425 (8)	0.0286 (4)
Na3A	−0.2491 (2)	1.0208 (2)	0.12454 (10)	0.0315 (7)	0.728 (3)
Na3B	−0.2456 (7)	0.9662 (7)	0.1236 (3)	0.0315 (7)	0.272 (3)
Na4	0.25667 (15)	1.01018 (14)	0.25198 (6)	0.0306 (4)
Na5	0.0499 (2)	0.75218 (12)	0.41828 (9)	0.0406 (5)
Na6A	−0.2250 (2)	0.24009 (14)	0.02380 (9)	0.0344 (5)	0.913 (3)
Na6B	−0.233 (2)	0.7733 (15)	0.3803 (10)	0.0344 (5)	0.087 (3)
Na7	−0.25104 (15)	0.50484 (16)	0.12426 (6)	0.0326 (5)
P1	0.02147 (8)	0.95895 (5)	0.18708 (3)	0.00753 (15)
O11	0.0595 (2)	0.90795 (16)	0.23705 (9)	0.0114 (4)
O12	−0.1133 (2)	1.00299 (17)	0.19193 (9)	0.0121 (4)
O13	0.1198 (2)	1.03491 (18)	0.17691 (10)	0.0167 (5)
O14	0.0218 (3)	0.88897 (17)	0.14349 (10)	0.0180 (5)
P2	−0.00118 (8)	0.55607 (5)	0.18630 (3)	0.00726 (15)
O21	−0.1208 (2)	0.49587 (15)	0.19862 (9)	0.0094 (4)
O22	0.1054 (2)	0.48755 (15)	0.17203 (9)	0.0102 (4)
O23	0.0419 (2)	0.61038 (16)	0.23457 (9)	0.0122 (4)
O24	−0.0344 (2)	0.62143 (17)	0.14216 (10)	0.0148 (5)
P3	−0.02812 (8)	0.41847 (5)	0.05821 (3)	0.00670 (14)
O31	0.1223 (2)	0.43586 (18)	0.06215 (9)	0.0141 (5)
O32	−0.0766 (2)	0.37619 (16)	0.10805 (10)	0.0137 (5)
O33	−0.0985 (2)	0.50938 (16)	0.04897 (10)	0.0126 (5)
O34	−0.0562 (2)	0.35599 (16)	0.01221 (9)	0.0130 (5)
P4	0.24862 (8)	0.76285 (5)	0.32077 (3)	0.00752 (15)
O41	0.2226 (2)	0.75451 (16)	0.26206 (9)	0.0131 (5)
O42	0.1849 (2)	0.84794 (15)	0.34330 (9)	0.0115 (4)
O43	0.1875 (3)	0.68076 (16)	0.34859 (11)	0.0182 (5)
O44	0.3976 (2)	0.76640 (16)	0.33051 (10)	0.0126 (5)
P5	−0.02864 (8)	0.93536 (5)	0.44014 (3)	0.00714 (15)
O51	−0.0667 (2)	0.89704 (16)	0.38701 (9)	0.0117 (4)
O52	−0.1050 (2)	1.02306 (16)	0.45045 (9)	0.0125 (4)
O53	−0.0584 (3)	0.86500 (16)	0.48186 (9)	0.0156 (5)
O54	0.1195 (2)	0.95971 (19)	0.44020 (9)	0.0154 (5)
P6	−0.00093 (8)	1.08524 (5)	0.31704 (3)	0.00662 (15)
O61	0.1165 (2)	1.02216 (15)	0.32591 (9)	0.0104 (4)
O62	−0.1139 (2)	1.02101 (16)	0.30139 (9)	0.0111 (4)
O63	0.0256 (2)	1.15306 (16)	0.27346 (10)	0.0140 (5)
O64	−0.0332 (3)	1.13666 (17)	0.36644 (10)	0.0167 (5)
P7	0.22616 (8)	0.71411 (6)	0.09753 (3)	0.00896 (16)
O71	0.2400 (2)	0.73654 (17)	0.15567 (9)	0.0126 (5)
O72	0.3371 (3)	0.75448 (19)	0.06542 (10)	0.0178 (5)
O73	0.0914 (2)	0.74886 (15)	0.07798 (9)	0.0102 (4)
O74	0.2274 (3)	0.61222 (18)	0.08776 (11)	0.0276 (7)
P8	−0.20479 (8)	0.74507 (5)	0.27241 (3)	0.00960 (16)
O81	−0.1915 (3)	0.76287 (18)	0.21468 (11)	0.0180 (5)
O82	−0.0719 (3)	0.77045 (17)	0.29927 (10)	0.0161 (5)
O83	−0.2155 (3)	0.64198 (17)	0.28366 (11)	0.0184 (5)
O84	−0.3225 (3)	0.7906 (2)	0.29628 (11)	0.0237 (6)
P9	−0.23778 (9)	0.25539 (6)	0.46735 (4)	0.01667 (19)
O91	−0.0975 (2)	0.25301 (15)	0.44622 (9)	0.0105 (4)
O92	−0.3014 (3)	0.16283 (13)	0.46219 (13)	0.0244 (6)
O93A	−0.3134 (4)	0.3141 (3)	0.42693 (16)	0.0253 (9)*	0.647 (3)
O93B	−0.3173 (7)	0.3396 (4)	0.4531 (4)	0.0253 (9)*	0.353 (3)
O94A	−0.2420 (6)	0.3088 (4)	0.51844 (15)	0.0338 (11)*	0.572 (3)
O94B	−0.2240 (8)	0.2603 (6)	0.52739 (9)	0.0338 (11)*	0.428 (3)
P10	−0.02899 (8)	0.56274 (6)	0.43968 (3)	0.01080 (16)
O101	0.1192 (3)	0.5369 (2)	0.43799 (12)	0.0276 (7)
O102	−0.0655 (3)	0.61483 (19)	0.38992 (10)	0.0193 (5)
O103	−0.0643 (3)	0.62146 (19)	0.48584 (11)	0.0227 (6)
O104	−0.1031 (3)	0.47208 (17)	0.44233 (11)	0.0204 (6)
P11	0.01212 (8)	0.42571 (5)	0.31475 (3)	0.00727 (15)
O111	0.0537 (2)	0.37489 (16)	0.26489 (9)	0.0130 (5)
O112	0.1098 (3)	0.50210 (17)	0.32612 (10)	0.0175 (5)
O113	0.0152 (3)	0.35548 (18)	0.35825 (10)	0.0198 (5)
O114	−0.1220 (3)	0.4675 (2)	0.30766 (10)	0.0206 (6)
P12	−0.03169 (8)	1.08027 (6)	0.05514 (3)	0.01004 (16)
O121	−0.1057 (3)	0.99014 (17)	0.05580 (12)	0.0218 (6)
O122	0.1167 (3)	1.0601 (3)	0.06303 (12)	0.0320 (7)
O123	−0.0811 (3)	1.1417 (2)	0.09748 (12)	0.0286 (7)
O124	−0.0580 (3)	1.1258 (2)	0.00300 (11)	0.0295 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ca1	0.0105 (3)	0.0074 (3)	0.0147 (3)	0.0003 (2)	0.0029 (2)	0.0004 (2)
Ca8	0.0095 (9)	0.0055 (12)	0.0085 (11)	−0.0021 (8)	0.0026 (7)	−0.0002 (9)
Na8	0.069 (6)	0.028 (5)	0.044 (5)	−0.004 (4)	0.005 (4)	0.003 (4)
Mg1	0.0115 (5)	0.0081 (5)	0.0171 (6)	−0.0009 (4)	−0.0024 (4)	0.0041 (4)
Mg2	0.0137 (5)	0.0112 (5)	0.0095 (5)	0.0016 (4)	0.0017 (4)	0.0004 (4)
Mg3	0.0107 (5)	0.0085 (5)	0.0099 (5)	0.0004 (4)	0.0012 (4)	0.0000 (4)
Mg4	0.0093 (5)	0.0126 (5)	0.0098 (5)	−0.0004 (4)	0.0017 (4)	−0.0011 (4)
Mg5	0.0088 (5)	0.0116 (5)	0.0101 (5)	0.0004 (4)	0.0019 (4)	0.0000 (4)
Mg6	0.0094 (5)	0.0106 (5)	0.0133 (5)	0.0000 (4)	0.0018 (4)	−0.0008 (4)
Mg7	0.0163 (6)	0.0104 (5)	0.0088 (5)	0.0011 (4)	0.0005 (4)	−0.0006 (4)
Mg8	0.0143 (5)	0.0085 (5)	0.0092 (5)	−0.0026 (4)	0.0024 (4)	−0.0007 (4)
Mg9	0.0107 (5)	0.0074 (5)	0.0076 (5)	−0.0002 (4)	0.0018 (4)	−0.0003 (4)
Mg10	0.0081 (5)	0.0123 (5)	0.0093 (5)	0.0002 (4)	0.0023 (4)	0.0013 (4)
Mg11	0.0110 (5)	0.0077 (5)	0.0096 (5)	0.0008 (4)	0.0024 (4)	0.0004 (4)
Mg12	0.0134 (6)	0.0118 (5)	0.0058 (5)	0.0049 (4)	0.0022 (4)	0.0010 (4)
Na12	0.0134 (6)	0.0118 (5)	0.0058 (5)	0.0049 (4)	0.0022 (4)	0.0010 (4)
Mg13	0.0148 (6)	0.0201 (6)	0.0169 (6)	−0.0007 (5)	0.0029 (5)	−0.0016 (5)
Na1	0.0239 (9)	0.0400 (10)	0.0227 (8)	0.0000 (7)	−0.0041 (7)	−0.0016 (7)
Na2	0.0342 (10)	0.0188 (8)	0.0331 (10)	−0.0015 (7)	0.0047 (7)	−0.0009 (7)
Na3A	0.0138 (9)	0.067 (2)	0.0137 (9)	0.0017 (14)	0.0008 (7)	0.0123 (14)
Na3B	0.0138 (9)	0.067 (2)	0.0137 (9)	0.0017 (14)	0.0008 (7)	0.0123 (14)
Na4	0.0150 (7)	0.0628 (13)	0.0140 (8)	−0.0047 (8)	0.0011 (6)	−0.0006 (8)
Na5	0.0489 (13)	0.0200 (9)	0.0532 (13)	−0.0007 (8)	0.0158 (10)	−0.0133 (8)
Na6A	0.0321 (11)	0.0266 (10)	0.0444 (13)	−0.0001 (8)	0.0001 (9)	0.0079 (9)
Na6B	0.0321 (11)	0.0266 (10)	0.0444 (13)	−0.0001 (8)	0.0001 (9)	0.0079 (9)
Na7	0.0126 (7)	0.0741 (14)	0.0110 (7)	−0.0029 (8)	0.0020 (6)	−0.0050 (8)
P1	0.0084 (3)	0.0071 (3)	0.0072 (3)	0.0013 (3)	0.0021 (3)	0.0010 (3)
O11	0.0171 (11)	0.0101 (10)	0.0071 (10)	0.0026 (9)	0.0006 (8)	0.0010 (8)
O12	0.0083 (10)	0.0161 (11)	0.0121 (11)	0.0028 (8)	0.0032 (8)	0.0025 (9)
O13	0.0123 (11)	0.0174 (12)	0.0204 (13)	−0.0034 (9)	0.0033 (9)	0.0074 (10)
O14	0.0316 (15)	0.0139 (11)	0.0086 (11)	0.0078 (10)	0.0005 (10)	−0.0031 (9)
P2	0.0076 (3)	0.0062 (3)	0.0080 (4)	−0.0002 (3)	0.0022 (3)	0.0001 (3)
O21	0.0079 (10)	0.0094 (10)	0.0112 (11)	−0.0005 (8)	0.0035 (8)	−0.0008 (8)
O22	0.0090 (10)	0.0096 (10)	0.0121 (11)	0.0011 (8)	0.0032 (8)	−0.0006 (8)
O23	0.0132 (11)	0.0107 (10)	0.0126 (11)	−0.0010 (9)	0.0005 (9)	−0.0016 (8)
O24	0.0184 (12)	0.0130 (11)	0.0131 (12)	0.0014 (9)	0.0027 (9)	0.0053 (9)
P3	0.0072 (3)	0.0060 (3)	0.0069 (3)	0.0001 (3)	0.0016 (3)	−0.0002 (3)
O31	0.0068 (10)	0.0242 (13)	0.0114 (11)	−0.0018 (9)	0.0021 (8)	−0.0015 (9)
O32	0.0152 (11)	0.0132 (11)	0.0127 (11)	−0.0017 (9)	0.0012 (9)	0.0028 (9)
O33	0.0136 (11)	0.0080 (10)	0.0163 (12)	0.0020 (8)	−0.0006 (9)	0.0019 (9)
O34	0.0164 (12)	0.0126 (11)	0.0101 (11)	−0.0038 (9)	0.0024 (9)	−0.0045 (9)
P4	0.0068 (3)	0.0063 (3)	0.0095 (3)	0.0007 (3)	0.0028 (3)	0.0004 (3)
O41	0.0118 (11)	0.0172 (12)	0.0102 (11)	0.0003 (9)	−0.0004 (8)	−0.0030 (9)
O42	0.0117 (11)	0.0086 (10)	0.0142 (11)	0.0016 (8)	0.0020 (8)	−0.0016 (8)
O43	0.0197 (13)	0.0076 (11)	0.0277 (14)	0.0030 (9)	0.0118 (10)	0.0062 (10)
O44	0.0089 (10)	0.0135 (11)	0.0154 (12)	0.0002 (8)	0.0011 (8)	0.0010 (9)
P5	0.0076 (3)	0.0070 (3)	0.0068 (3)	0.0003 (3)	0.0022 (3)	0.0002 (3)
O51	0.0146 (11)	0.0140 (11)	0.0066 (10)	−0.0007 (9)	0.0024 (8)	−0.0020 (8)
O52	0.0151 (11)	0.0110 (10)	0.0114 (11)	0.0037 (9)	0.0017 (9)	−0.0014 (9)
O53	0.0242 (13)	0.0124 (11)	0.0101 (11)	−0.0053 (10)	−0.0001 (9)	0.0039 (9)
O54	0.0067 (10)	0.0295 (14)	0.0100 (11)	−0.0026 (10)	0.0026 (8)	−0.0005 (10)
P6	0.0078 (3)	0.0048 (3)	0.0073 (3)	0.0000 (3)	0.0009 (3)	0.0002 (3)
O61	0.0083 (10)	0.0088 (10)	0.0142 (11)	0.0011 (8)	−0.0013 (8)	0.0003 (8)
O62	0.0092 (10)	0.0127 (11)	0.0113 (11)	−0.0035 (8)	−0.0005 (8)	0.0005 (8)
O63	0.0162 (12)	0.0129 (11)	0.0127 (11)	−0.0051 (9)	−0.0014 (9)	0.0043 (9)
O64	0.0207 (13)	0.0164 (12)	0.0131 (12)	0.0063 (10)	0.0000 (9)	−0.0051 (9)
P7	0.0085 (4)	0.0107 (4)	0.0078 (4)	0.0014 (3)	0.0017 (3)	0.0000 (3)
O71	0.0095 (10)	0.0204 (12)	0.0079 (10)	0.0006 (9)	0.0028 (8)	−0.0020 (9)
O72	0.0114 (11)	0.0298 (14)	0.0125 (11)	−0.0071 (10)	0.0049 (9)	−0.0024 (10)
O73	0.0085 (10)	0.0101 (10)	0.0119 (11)	0.0002 (8)	−0.0004 (8)	−0.0013 (8)
O74	0.057 (2)	0.0105 (12)	0.0148 (13)	0.0119 (13)	−0.0025 (13)	−0.0011 (10)
P8	0.0072 (3)	0.0100 (4)	0.0117 (4)	−0.0010 (3)	0.0033 (3)	−0.0029 (3)
O81	0.0129 (12)	0.0245 (13)	0.0166 (12)	0.0011 (10)	0.0040 (9)	0.0002 (10)
O82	0.0138 (12)	0.0157 (12)	0.0187 (13)	−0.0045 (9)	0.0000 (9)	−0.0025 (10)
O83	0.0237 (13)	0.0097 (11)	0.0220 (13)	−0.0052 (10)	0.0077 (10)	−0.0041 (10)
O84	0.0164 (13)	0.0297 (15)	0.0253 (15)	0.0094 (11)	0.0045 (11)	−0.0066 (12)
P9	0.0087 (4)	0.0127 (4)	0.0288 (5)	−0.0029 (3)	0.0083 (3)	−0.0089 (3)
O91	0.0088 (10)	0.0088 (10)	0.0140 (11)	−0.0004 (8)	0.0046 (8)	−0.0003 (8)
O92	0.0152 (12)	0.0101 (11)	0.0480 (19)	−0.0022 (9)	0.0022 (12)	0.0052 (12)
P10	0.0110 (4)	0.0110 (4)	0.0103 (4)	−0.0015 (3)	−0.0002 (3)	0.0011 (3)
O101	0.0120 (12)	0.0470 (19)	0.0238 (15)	0.0040 (12)	0.0054 (10)	0.0140 (13)
O102	0.0220 (13)	0.0207 (13)	0.0151 (12)	0.0007 (10)	−0.0024 (10)	0.0041 (10)
O103	0.0333 (16)	0.0184 (13)	0.0162 (13)	0.0063 (11)	−0.0056 (11)	−0.0067 (10)
O104	0.0235 (13)	0.0118 (11)	0.0255 (14)	−0.0012 (10)	−0.0088 (11)	0.0000 (10)
P11	0.0085 (3)	0.0050 (3)	0.0083 (4)	0.0010 (3)	0.0018 (3)	0.0004 (3)
O111	0.0170 (12)	0.0103 (10)	0.0117 (11)	0.0065 (9)	0.0006 (9)	−0.0016 (8)
O112	0.0198 (13)	0.0157 (12)	0.0173 (13)	−0.0091 (10)	0.0033 (10)	−0.0035 (10)
O113	0.0296 (15)	0.0157 (12)	0.0140 (12)	−0.0028 (11)	−0.0042 (10)	0.0073 (10)
O114	0.0146 (12)	0.0365 (16)	0.0105 (12)	0.0145 (11)	−0.0009 (9)	−0.0028 (11)
P12	0.0109 (4)	0.0094 (3)	0.0099 (4)	−0.0014 (3)	0.0030 (3)	0.0018 (3)
O121	0.0191 (13)	0.0092 (11)	0.0374 (17)	0.0002 (9)	0.0121 (11)	0.0050 (11)
O122	0.0122 (13)	0.057 (2)	0.0268 (16)	−0.0028 (13)	−0.0020 (11)	−0.0058 (15)
O123	0.0353 (17)	0.0278 (15)	0.0231 (15)	−0.0033 (13)	0.0091 (12)	−0.0119 (12)
O124	0.0410 (18)	0.0312 (16)	0.0168 (14)	0.0189 (14)	0.0136 (12)	0.0117 (12)

Geometric parameters (Å, º)

Ca1—O23	2.373 (3)	Na1—O64^v	2.373 (3)
Ca1—O81	2.381 (3)	Na1—O113	2.409 (4)
Ca1—O71	2.386 (3)	Na1—O93A	2.488 (5)
Ca1—O11	2.413 (3)	Na1—O91	2.499 (3)
Ca1—O14	2.427 (3)	Na1—P9	2.993 (2)
Ca1—O41	2.430 (3)	Na1—Na3B^vii	3.210 (10)
Ca1—O24	2.631 (3)	Na1—P11	3.277 (2)
Ca1—O82	2.792 (3)	Na1—P6^v	3.305 (2)
Ca1—P1	2.9978 (19)	Na1—P8^vii	3.433 (2)
Ca1—P2	3.0620 (19)	Na1—Mg7^iv	3.485 (2)
Ca1—P8	3.1203 (19)	Na2—O94B	2.270 (8)
Ca1—P7	3.3441 (16)	Na2—O94A	2.424 (6)
Ca8—O123	2.245 (4)	Na2—O44^vi	2.450 (3)
Ca8—O44^i	2.313 (4)	Na2—O123^xvi	2.465 (4)
Ca8—O12	2.353 (4)	Na2—O34^xvii	2.655 (3)
Ca8—O63	2.405 (4)	Na2—O32^xvii	2.658 (3)
Ca8—O84^ii	2.450 (5)	Na2—O31^xvii	2.773 (3)
Ca8—O13	2.498 (4)	Na2—P3^xvii	2.778 (2)
Ca8—O83^ii	2.536 (4)	Na2—P12^xvi	2.870 (2)
Ca8—P1	3.003 (4)	Na2—O122^xvi	2.877 (4)
Ca8—P8^ii	3.051 (3)	Na2—O124^xvi	3.001 (4)
Ca8—Na3A	3.205 (4)	Na2—P4^vi	3.138 (2)
Ca8—Mg11^iii	3.216 (4)	Na3A—Na3B	0.813 (9)
Ca8—Na6B^ii	3.25 (2)	Na3A—O12	2.211 (3)
Na8—O44^i	2.268 (11)	Na3A—O114^ii	2.331 (4)
Na8—O123	2.281 (11)	Na3A—O121	2.349 (4)
Na8—O63	2.354 (11)	Na3A—O102^ii	2.374 (4)
Na8—O12	2.361 (11)	Na3A—O104^ii	2.376 (4)
Na8—O13	2.422 (11)	Na3A—O123	2.583 (5)
Na8—O84^ii	2.511 (11)	Na3A—P10^ii	2.844 (3)
Na8—O83^ii	2.616 (11)	Na3A—O83^ii	2.988 (4)
Na8—P1	2.963 (11)	Na3A—P12	2.993 (3)
Na8—P8^ii	3.128 (11)	Na3A—Mg5^ii	3.073 (3)
Na8—Mg11^iii	3.228 (11)	Na3B—O114^ii	2.234 (8)
Na8—Na3A	3.265 (11)	Na3B—O12	2.260 (8)
Na8—Mg5^ii	3.312 (11)	Na3B—O104^ii	2.269 (7)
Mg1—O71^iv	1.934 (3)	Na3B—O121	2.290 (8)
Mg1—O63^v	1.960 (3)	Na3B—O93A^ii	2.676 (11)
Mg1—O41^iv	1.982 (3)	Na3B—O93B^ii	2.801 (12)
Mg1—O111	1.991 (3)	Na3B—O102^ii	2.946 (9)
Mg1—O113	2.588 (3)	Na3B—O14	2.992 (8)
Mg1—P11	2.8442 (19)	Na3B—P10^ii	3.137 (8)
Mg1—P6^v	3.0182 (19)	Na3B—P1	3.150 (7)
Mg1—P4^iv	3.0743 (18)	Na3B—Mg13^ii	3.164 (8)
Mg1—Ca1^iv	3.347 (3)	Na4—O13	2.386 (3)
Mg1—Mg11	3.5047 (19)	Na4—O61	2.395 (3)
Mg1—Na8^v	3.546 (11)	Na4—O22^i	2.406 (3)
Mg1—Na1	3.583 (3)	Na4—O112^i	2.439 (3)
Mg2—O103^vi	2.002 (3)	Na4—O11	2.543 (3)
Mg2—O91	2.034 (3)	Na4—O23^i	2.554 (3)
Mg2—O113	2.046 (3)	Na4—O111^i	2.826 (3)
Mg2—O72^iv	2.084 (3)	Na4—P1	2.993 (2)
Mg2—O104	2.143 (3)	Na4—P2^i	3.008 (2)
Mg2—P10	3.081 (2)	Na4—P11^i	3.188 (2)
Mg2—Mg7^iv	3.220 (2)	Na4—P6	3.322 (3)
Mg2—Na1	3.314 (2)	Na5—O94B^vi	2.245 (7)
Mg2—Mg13	3.535 (3)	Na5—O102	2.460 (4)
Mg2—Na3B^vii	3.619 (8)	Na5—O43	2.520 (3)
Mg2—Na6A^viii	3.634 (3)	Na5—O51	2.580 (3)
Mg3—O93B^ii	1.915 (6)	Na5—O53	2.595 (3)
Mg3—O124^ix	1.956 (3)	Na5—O94A^vi	2.679 (7)
Mg3—O14	1.964 (3)	Na5—O42	2.772 (3)
Mg3—O93A^ii	2.006 (4)	Na5—O103	2.861 (4)
Mg3—O73	2.054 (3)	Na5—P5	2.894 (2)
Mg3—O121	2.091 (3)	Na5—P10	2.981 (3)
Mg3—P12	3.174 (2)	Na5—Na6B	3.05 (2)
Mg3—Na3B	3.181 (8)	Na5—P4	3.242 (3)
Mg3—Mg13^ii	3.210 (2)	Na6A—O34	2.455 (3)
Mg3—Mg8	3.519 (2)	Na6A—O124^v	2.468 (4)
Mg3—Na3A	3.657 (4)	Na6A—O72^x	2.540 (4)
Mg3—Na6A^x	3.733 (3)	Na6A—Na6B^vii	2.55 (2)
Mg4—O92^ii	2.002 (3)	Na6A—O103^vii	2.785 (4)
Mg4—O54^xi	2.037 (3)	Na6A—O123^v	2.786 (4)
Mg4—O33	2.037 (3)	Na6A—O53^vii	2.885 (4)
Mg4—O31^x	2.042 (3)	Na6A—O73^x	2.963 (3)
Mg4—O52^vii	2.044 (3)	Na6A—P12^v	3.180 (3)
Mg4—Mg10^xi	3.0928 (19)	Na6A—P7^x	3.181 (3)
Mg4—Mg8	3.126 (2)	Na6A—P3	3.431 (3)
Mg4—P9^ii	3.179 (2)	Na6A—Na2^xviii	3.439 (4)
Mg4—Na7	3.266 (2)	Na6B—O84	2.34 (2)
Mg4—Mg7^xii	3.500 (2)	Na6B—O32^ii	2.49 (2)
Mg4—Na2^ii	3.859 (2)	Na6B—O51	2.51 (2)
Mg5—O12^vii	1.975 (3)	Na6B—Na6A^ii	2.55 (2)
Mg5—O83	1.993 (3)	Na6B—O82	2.67 (2)
Mg5—O114	1.996 (3)	Na6B—O123^vii	2.78 (2)
Mg5—O21	1.999 (3)	Na6B—P8	2.81 (3)
Mg5—O62^vii	2.004 (3)	Na6B—O102	2.92 (2)
Mg5—Na3A^vii	3.073 (3)	Na6B—Ca^vii	3.25 (2)
Mg5—P2	3.152 (2)	Na6B—Mg11^ii	3.28 (2)
Mg5—Na3B^vii	3.197 (8)	Na6B—Na^vii	3.33 (3)
Mg5—Ca8^vii	3.275 (3)	Na7—O21	2.308 (3)
Mg5—Mg12	3.291 (2)	Na7—O62^vii	2.378 (3)
Mg5—Na8^vii	3.312 (11)	Na7—O52^vii	2.408 (3)
Mg6—O13	1.986 (3)	Na7—O51^vii	2.465 (3)
Mg6—O43^i	2.034 (3)	Na7—O33	2.495 (3)
Mg6—O112^i	2.057 (3)	Na7—O32	2.647 (3)
Mg6—O101^i	2.072 (3)	Na7—O24	2.837 (3)
Mg6—O122	2.073 (3)	Na7—P5^vii	2.951 (2)
Mg6—Na12^i	3.161 (2)	Na7—O64^vii	2.956 (4)
Mg6—Mg12^i	3.161 (2)	Na7—P2	3.075 (2)
Mg6—Mg13^xiii	3.173 (2)	Na7—P3	3.127 (2)
Mg6—Na4	3.371 (2)	Na7—P6^vii	3.191 (2)
Mg6—Na2^xiii	3.547 (3)	P1—O14	1.526 (3)
Mg6—Na5^i	3.665 (3)	P1—O12	1.528 (3)
Mg7—O53^xiii	1.993 (3)	P1—O11	1.532 (2)
Mg7—O64^iv	1.998 (3)	P1—O13	1.534 (3)
Mg7—O91^i	2.051 (3)	P2—O24	1.524 (3)
Mg7—O72	2.206 (3)	P2—O23	1.535 (2)
Mg7—O52^iv	2.210 (3)	P2—O22	1.537 (2)
Mg7—O74	2.707 (4)	P2—O21	1.548 (2)
Mg7—P7	2.964 (2)	P2—Na4^iv	3.008 (2)
Mg7—P5^iv	3.120 (2)	P3—O32	1.512 (3)
Mg7—Mg2^i	3.220 (2)	P3—O34	1.524 (2)
Mg7—Na1^i	3.485 (2)	P3—O33	1.546 (2)
Mg7—Mg4^xiv	3.500 (2)	P3—O31	1.555 (3)
Mg7—Mg10^iv	3.694 (2)	P3—Na2^xviii	2.778 (2)
Mg8—O34^x	2.043 (3)	P4—O41	1.528 (3)
Mg8—O73	2.053 (3)	P4—O44	1.535 (3)
Mg8—O33	2.063 (3)	P4—O42	1.538 (2)
Mg8—O24	2.066 (3)	P4—O43	1.548 (3)
Mg8—O92^ii	2.071 (3)	P4—Mg1^i	3.0743 (18)
Mg8—O74	2.504 (4)	P4—Na2^vi	3.138 (2)
Mg8—P7	2.825 (2)	P4—Na8^iv	3.403 (11)
Mg8—P3	3.180 (2)	P4—Ca8^iv	3.477 (4)
Mg8—Na7	3.500 (3)	P5—O51	1.520 (2)
Mg8—Na6A^x	3.789 (3)	P5—O53	1.529 (3)
Mg9—O51	2.034 (3)	P5—O52	1.543 (3)
Mg9—O11	2.052 (3)	P5—O54	1.552 (3)
Mg9—O42	2.054 (3)	P5—Na7^ii	2.951 (2)
Mg9—O82	2.078 (3)	P5—Mg7^i	3.120 (2)
Mg9—O61	2.184 (3)	P6—O64	1.518 (3)
Mg9—O62	2.261 (3)	P6—O63	1.531 (3)
Mg9—P6	2.812 (2)	P6—O61	1.534 (2)
Mg9—P4	3.142 (2)	P6—O62	1.543 (2)
Mg9—Mg10	3.219 (2)	P6—Mg1^iii	3.0182 (19)
Mg9—Na5	3.441 (3)	P6—Na7^ii	3.191 (2)
Mg9—Na4	3.442 (3)	P6—Na1^iii	3.305 (2)
Mg9—Na7^ii	3.488 (3)	P7—O71	1.530 (3)
Mg10—O22^i	2.003 (3)	P7—O72	1.530 (3)
Mg10—O61	2.018 (3)	P7—O74	1.535 (3)
Mg10—O31^i	2.072 (3)	P7—O73	1.543 (3)
Mg10—O54	2.077 (3)	P7—Na6A^x	3.181 (3)
Mg10—O74^i	2.112 (3)	P8—O81	1.510 (3)
Mg10—O42	2.299 (3)	P8—O84	1.514 (3)
Mg10—Mg4^xv	3.0928 (19)	P8—O82	1.555 (3)
Mg10—Na4	3.309 (2)	P8—O83	1.563 (3)
Mg10—Mg11^i	3.693 (2)	P8—Ca8^vii	3.051 (3)
Mg10—Mg7^i	3.694 (2)	P8—Na8^vii	3.128 (11)
Mg11—O84^vii	2.004 (3)	P8—Na1^ii	3.433 (2)
Mg11—O32	2.039 (3)	O81—Na1^ii	2.186 (3)
Mg11—O44^iv	2.075 (3)	O83—Ca8^vii	2.536 (4)
Mg11—O21	2.124 (3)	O83—Na8^vii	2.616 (11)
Mg11—O111	2.184 (3)	O83—Na3A^vii	2.988 (4)
Mg11—O22	2.228 (3)	O84—Mg11^ii	2.004 (3)
Mg11—P2	2.769 (2)	O84—Ca8^vii	2.450 (5)
Mg11—Ca8^v	3.216 (4)	O84—Na8^vii	2.511 (11)
Mg11—Na8^v	3.228 (11)	P9—O92	1.5254 (18)
Mg11—Na6B^vii	3.28 (2)	P9—O93B	1.531 (2)
Mg11—Na7	3.398 (3)	P9—O94A	1.531 (2)
Mg12—O102	2.045 (3)	P9—O91	1.535 (3)
Mg12—O23	2.120 (3)	P9—O94B	1.544 (2)
Mg12—O112	2.213 (3)	P9—O93A	1.550 (2)
Mg12—O82	2.272 (3)	P9—Mg4^vii	3.179 (2)
Mg12—O83	2.274 (3)	P10—O103	1.517 (3)
Mg12—O43	2.291 (3)	P10—O102	1.532 (3)
Mg12—O114	2.647 (4)	P10—O104	1.546 (3)
Mg12—P8	2.8782 (19)	P10—O101	1.558 (3)
Mg12—P11	2.991 (2)	P10—Na3A^vii	2.844 (3)
Mg12—Mg6^iv	3.161 (2)	P10—Na3B^vii	3.137 (8)
Mg12—Na5	3.294 (3)	P11—O114	1.509 (3)
Mg13—O101^vi	2.095 (3)	P11—O113	1.527 (3)
Mg13—O121^vii	2.100 (3)	P11—O112	1.535 (3)
Mg13—O93B	2.108 (9)	P11—O111	1.548 (3)
Mg13—O122^xvi	2.120 (3)	P11—Na4^iv	3.188 (2)
Mg13—O94A	2.134 (7)	P11—Na3B^vii	3.218 (7)
Mg13—O104	2.159 (3)	P11—Na3A^vii	3.423 (3)
Mg13—P9	2.990 (2)	P12—O123	1.510 (3)
Mg13—Na3B^vii	3.164 (8)	P12—O124	1.517 (3)
Mg13—Mg6^xvi	3.173 (2)	P12—O121	1.537 (3)
Mg13—Mg3^vii	3.210 (2)	P12—O122	1.551 (3)
Mg13—Na3A^vii	3.355 (3)	P12—Na2^xiii	2.870 (2)
Na1—O81^vii	2.186 (3)	P12—Na6A^iii	3.180 (3)
O23—Ca1—O81	88.51 (9)	O94A—Na2—O31^xvii	102.26 (14)
O23—Ca1—O71	92.37 (9)	O44^vi—Na2—O31^xvii	91.09 (9)
O81—Ca1—O71	158.78 (9)	O123^xvi—Na2—O31^xvii	140.20 (12)
O23—Ca1—O11	135.26 (9)	O34^xvii—Na2—O31^xvii	54.94 (8)
O81—Ca1—O11	89.87 (9)	O32^xvii—Na2—O31^xvii	55.20 (8)
O71—Ca1—O11	104.14 (9)	O94B—Na2—O122^xvi	77.6 (2)
O23—Ca1—O14	164.23 (9)	O94A—Na2—O122^xvi	60.19 (14)
O81—Ca1—O14	90.58 (10)	O44^vi—Na2—O122^xvi	100.55 (10)
O71—Ca1—O14	82.88 (9)	O123^xvi—Na2—O122^xvi	55.71 (10)
O11—Ca1—O14	60.47 (9)	O34^xvii—Na2—O122^xvi	124.87 (11)
O23—Ca1—O41	74.39 (8)	O32^xvii—Na2—O122^xvi	141.62 (11)
O81—Ca1—O41	130.73 (10)	O31^xvii—Na2—O122^xvi	162.40 (11)
O71—Ca1—O41	69.53 (10)	P3^xvii—Na2—O122^xvi	155.51 (10)
O11—Ca1—O41	73.21 (8)	P12^xvi—Na2—O122^xvi	31.31 (7)
O14—Ca1—O41	117.34 (9)	O94B—Na2—O124^xvi	92.5 (2)
O23—Ca1—O24	59.27 (9)	O94A—Na2—O124^xvi	76.24 (17)
O81—Ca1—O24	80.47 (9)	O44^vi—Na2—O124^xvi	132.81 (11)
O71—Ca1—O24	81.79 (9)	O123^xvi—Na2—O124^xvi	52.05 (10)
O11—Ca1—O24	162.75 (8)	O34^xvii—Na2—O124^xvi	74.36 (10)
O14—Ca1—O24	105.06 (9)	O32^xvii—Na2—O124^xvi	108.51 (11)
O41—Ca1—O24	123.83 (8)	O31^xvii—Na2—O124^xvi	127.43 (10)
O23—Ca1—O82	74.15 (8)	P3^xvii—Na2—O124^xvi	104.84 (9)
O81—Ca1—O82	56.42 (9)	P12^xvi—Na2—O124^xvi	29.84 (6)
O71—Ca1—O82	143.74 (8)	O122^xvi—Na2—O124^xvi	50.93 (9)
O11—Ca1—O82	68.01 (8)	O12—Na3A—O121	99.99 (14)
O14—Ca1—O82	118.01 (9)	O114^ii—Na3A—O121	148.9 (2)
O41—Ca1—O82	74.41 (9)	Na3B—Na3A—O102^ii	128.1 (6)
O24—Ca1—O82	116.56 (8)	O12—Na3A—O102^ii	132.75 (17)
O123—Ca8—O44^i	89.09 (15)	O114^ii—Na3A—O102^ii	81.96 (13)
O123—Ca8—O12	88.16 (14)	O121—Na3A—O102^ii	119.96 (15)
O44^i—Ca8—O12	152.27 (16)	Na3B—Na3A—O104^ii	72.6 (6)
O123—Ca8—O63	167.67 (18)	O12—Na3A—O104^ii	155.2 (2)
O44^i—Ca8—O63	87.25 (13)	O114^ii—Na3A—O104^ii	94.33 (14)
O12—Ca8—O63	89.61 (13)	O121—Na3A—O104^ii	78.17 (14)
O123—Ca8—O84^ii	102.07 (16)	O102^ii—Na3A—O104^ii	64.72 (11)
O44^i—Ca8—O84^ii	78.53 (14)	Na3B—Na3A—O123	131.1 (6)
O12—Ca8—O84^ii	128.96 (15)	O12—Na3A—O123	83.33 (14)
O63—Ca8—O84^ii	88.74 (13)	O114^ii—Na3A—O123	144.96 (17)
O123—Ca8—O13	87.14 (14)	O121—Na3A—O123	60.80 (11)
O44^i—Ca8—O13	91.52 (14)	O102^ii—Na3A—O123	94.42 (16)
O12—Ca8—O13	60.78 (12)	O104^ii—Na3A—O123	115.69 (14)
O63—Ca8—O13	81.20 (13)	O12—Na3A—O83^ii	62.57 (11)
O84^ii—Ca8—O13	166.22 (16)	O114^ii—Na3A—O83^ii	62.77 (11)
O123—Ca8—O83^ii	101.54 (15)	O121—Na3A—O83^ii	142.23 (15)
O44^i—Ca8—O83^ii	138.21 (16)	O102^ii—Na3A—O83^ii	70.28 (12)
O12—Ca8—O83^ii	69.20 (11)	O104^ii—Na3A—O83^ii	131.92 (14)
O63—Ca8—O83^ii	88.97 (13)	O123—Na3A—O83^ii	83.11 (13)
O84^ii—Ca8—O83^ii	59.77 (11)	O114^ii—Na3B—O12	75.3 (3)
O13—Ca8—O83^ii	128.90 (15)	O114^ii—Na3B—O104^ii	100.1 (3)
O44^i—Na8—O123	89.3 (4)	O12—Na3B—O104^ii	163.1 (5)
O44^i—Na8—O63	89.6 (4)	O114^ii—Na3B—O121	170.3 (5)
O123—Na8—O63	171.8 (5)	O12—Na3B—O121	100.3 (3)
O44^i—Na8—O12	156.3 (5)	O104^ii—Na3B—O121	81.6 (3)
O123—Na8—O12	87.1 (4)	O114^ii—Na3B—O93A^ii	122.1 (4)
O63—Na8—O12	90.7 (4)	O12—Na3B—O93A^ii	116.3 (3)
O44^i—Na8—O13	94.6 (4)	O104^ii—Na3B—O93A^ii	80.1 (3)
O123—Na8—O13	88.2 (4)	O121—Na3B—O93A^ii	67.6 (3)
O63—Na8—O13	83.9 (4)	O114^ii—Na3B—O93B^ii	134.9 (4)
O12—Na8—O13	61.8 (3)	O12—Na3B—O93B^ii	124.4 (4)
O44^i—Na8—O84^ii	78.1 (3)	O104^ii—Na3B—O93B^ii	70.4 (3)
O123—Na8—O84^ii	99.2 (4)	O121—Na3B—O93B^ii	54.7 (2)
O63—Na8—O84^ii	88.5 (4)	O93A^ii—Na3B—O93B^ii	15.98 (18)
O12—Na8—O84^ii	125.6 (5)	O114^ii—Na3B—O102^ii	71.6 (2)
O13—Na8—O84^ii	169.5 (5)	O12—Na3B—O102^ii	106.8 (4)
O44^i—Na8—O83^ii	136.0 (5)	O104^ii—Na3B—O102^ii	56.6 (2)
O123—Na8—O83^ii	98.2 (4)	O121—Na3B—O102^ii	102.0 (3)
O63—Na8—O83^ii	88.2 (4)	O93A^ii—Na3B—O102^ii	136.7 (3)
O12—Na8—O83^ii	67.7 (3)	O93B^ii—Na3B—O102^ii	125.3 (3)
O13—Na8—O83^ii	128.7 (4)	Na3A—Na3B—O14	114.6 (7)
O84^ii—Na8—O83^ii	58.0 (2)	O114^ii—Na3B—O14	115.3 (3)
O71^iv—Mg1—O63^v	111.85 (12)	O12—Na3B—O14	55.27 (17)
O71^iv—Mg1—O41^iv	89.05 (12)	O104^ii—Na3B—O14	138.4 (4)
O63^v—Mg1—O41^iv	104.75 (12)	O121—Na3B—O14	67.3 (2)
O71^iv—Mg1—O111	129.96 (12)	O93A^ii—Na3B—O14	63.1 (2)
O63^v—Mg1—O111	114.12 (12)	O93B^ii—Na3B—O14	69.2 (3)
O41^iv—Mg1—O111	97.43 (11)	O102^ii—Na3B—O14	154.0 (4)
O71^iv—Mg1—O113	84.61 (11)	O13—Na4—O61	106.11 (11)
O63^v—Mg1—O113	108.64 (11)	O13—Na4—O22^i	179.17 (13)
O41^iv—Mg1—O113	145.97 (11)	O61—Na4—O22^i	73.67 (10)
O111—Mg1—O113	63.00 (10)	O13—Na4—O112^i	70.90 (11)
O103^vi—Mg2—O91	97.02 (12)	O61—Na4—O112^i	176.87 (12)
O103^vi—Mg2—O113	169.64 (14)	O22^i—Na4—O112^i	109.31 (11)
O91—Mg2—O113	93.21 (11)	O13—Na4—O11	61.33 (9)
O103^vi—Mg2—O72^iv	91.88 (12)	O61—Na4—O11	71.60 (9)
O91—Mg2—O72^iv	80.97 (12)	O22^i—Na4—O11	119.23 (11)
O113—Mg2—O72^iv	88.10 (11)	O112^i—Na4—O11	107.22 (11)
O103^vi—Mg2—O104	86.86 (12)	O13—Na4—O23^i	118.50 (11)
O91—Mg2—O104	102.45 (12)	O61—Na4—O23^i	109.72 (11)
O113—Mg2—O104	92.55 (12)	O22^i—Na4—O23^i	60.96 (9)
O72^iv—Mg2—O104	176.47 (12)	O112^i—Na4—O23^i	71.49 (10)
O93B^ii—Mg3—O124^ix	93.9 (3)	O11—Na4—O23^i	178.55 (11)
O93B^ii—Mg3—O14	116.2 (3)	O13—Na4—O111^i	112.25 (11)
O124^ix—Mg3—O14	149.47 (15)	O61—Na4—O111^i	126.22 (11)
O93B^ii—Mg3—O93A^ii	22.5 (3)	O22^i—Na4—O111^i	68.42 (9)
O124^ix—Mg3—O93A^ii	113.23 (16)	O112^i—Na4—O111^i	56.54 (9)
O14—Mg3—O93A^ii	97.27 (15)	O11—Na4—O111^i	95.28 (11)
O93B^ii—Mg3—O73	106.9 (2)	O23^i—Na4—O111^i	83.44 (10)
O124^ix—Mg3—O73	88.72 (12)	O94B^vi—Na5—O102	119.0 (2)
O14—Mg3—O73	87.25 (11)	O94B^vi—Na5—O43	87.82 (19)
O93A^ii—Mg3—O73	95.01 (16)	O102—Na5—O43	73.13 (11)
O93B^ii—Mg3—O121	72.8 (2)	O94B^vi—Na5—O51	128.1 (2)
O124^ix—Mg3—O121	89.25 (13)	O102—Na5—O51	112.62 (13)
O14—Mg3—O121	94.70 (12)	O43—Na5—O51	112.95 (12)
O93A^ii—Mg3—O121	85.42 (16)	O94B^vi—Na5—O53	90.2 (2)
O73—Mg3—O121	177.93 (12)	O102—Na5—O53	121.02 (13)
O92^ii—Mg4—O54^xi	125.19 (12)	O43—Na5—O53	164.31 (12)
O92^ii—Mg4—O33	76.91 (11)	O51—Na5—O53	57.15 (9)
O54^xi—Mg4—O33	157.68 (12)	O94B^vi—Na5—O94A^vi	15.1 (2)
O92^ii—Mg4—O31^x	98.36 (13)	O102—Na5—O94A^vi	103.86 (15)
O54^xi—Mg4—O31^x	81.21 (11)	O43—Na5—O94A^vi	82.95 (12)
O33—Mg4—O31^x	93.29 (12)	O51—Na5—O94A^vi	142.98 (14)
O92^ii—Mg4—O52^vii	91.66 (12)	O53—Na5—O94A^vi	98.77 (12)
O54^xi—Mg4—O52^vii	87.35 (12)	O94B^vi—Na5—O42	94.4 (2)
O33—Mg4—O52^vii	95.74 (12)	O102—Na5—O42	117.47 (12)
O31^x—Mg4—O52^vii	167.81 (11)	O43—Na5—O42	55.85 (9)
O12^vii—Mg5—O83	88.95 (11)	O51—Na5—O42	65.64 (9)
O12^vii—Mg5—O114	87.54 (12)	O53—Na5—O42	108.85 (10)
O83—Mg5—O114	90.22 (13)	O94A^vi—Na5—O42	103.15 (16)
O12^vii—Mg5—O21	162.70 (11)	O94B^vi—Na5—O103	83.9 (2)
O83—Mg5—O21	108.19 (11)	O102—Na5—O103	54.41 (9)
O114—Mg5—O21	89.98 (12)	O43—Na5—O103	112.21 (11)
O12^vii—Mg5—O62^vii	90.09 (12)	O51—Na5—O103	124.37 (12)
O83—Mg5—O62^vii	111.22 (12)	O53—Na5—O103	83.02 (10)
O114—Mg5—O62^vii	158.39 (13)	O94A^vi—Na5—O103	72.82 (16)
O21—Mg5—O62^vii	85.94 (11)	O42—Na5—O103	168.05 (10)
O13—Mg6—O43^i	96.63 (12)	O34—Na6A—O124^v	88.31 (14)
O13—Mg6—O112^i	87.59 (12)	O34—Na6A—O72^x	100.08 (11)
O43^i—Mg6—O112^i	87.41 (12)	O124^v—Na6A—O72^x	97.44 (13)
O13—Mg6—O101^i	159.91 (14)	O34—Na6A—O103^vii	166.77 (13)
O43^i—Mg6—O101^i	103.13 (13)	O124^v—Na6A—O103^vii	94.46 (14)
O112^i—Mg6—O101^i	89.67 (13)	O72^x—Na6A—O103^vii	66.75 (10)
O13—Mg6—O122	92.80 (13)	O34—Na6A—O123^v	95.04 (12)
O43^i—Mg6—O122	116.35 (15)	O124^v—Na6A—O123^v	55.10 (10)
O112^i—Mg6—O122	155.97 (14)	O72^x—Na6A—O123^v	148.28 (13)
O101^i—Mg6—O122	81.77 (13)	O103^vii—Na6A—O123^v	97.16 (11)
O53^xiii—Mg7—O64^iv	171.98 (13)	O34—Na6A—O53^vii	94.53 (11)
O53^xiii—Mg7—O91^i	95.05 (11)	O124^v—Na6A—O53^vii	163.95 (13)
O64^iv—Mg7—O91^i	86.03 (11)	O72^x—Na6A—O53^vii	66.52 (9)
O53^xiii—Mg7—O72	90.61 (11)	O103^vii—Na6A—O53^vii	79.36 (11)
O64^iv—Mg7—O72	97.39 (12)	O123^v—Na6A—O53^vii	139.96 (12)
O91^i—Mg7—O72	77.72 (11)	O34—Na6A—O73^x	61.51 (9)
O53^xiii—Mg7—O52^iv	87.38 (10)	O124^v—Na6A—O73^x	61.38 (9)
O64^iv—Mg7—O52^iv	84.70 (11)	O72^x—Na6A—O73^x	54.05 (9)
O91^i—Mg7—O52^iv	106.68 (11)	Na6B^vii—Na6A—O73^x	157.3 (5)
O72—Mg7—O52^iv	175.31 (11)	O103^vii—Na6A—O73^x	108.69 (11)
O53^xiii—Mg7—O74	95.90 (11)	O123^v—Na6A—O73^x	112.40 (11)
O64^iv—Mg7—O74	88.83 (11)	O53^vii—Na6A—O73^x	106.33 (10)
O91^i—Mg7—O74	135.43 (10)	O84—Na6B—O32^ii	75.6 (7)
O72—Mg7—O74	59.12 (10)	O84—Na6B—O51	103.6 (8)
O52^iv—Mg7—O74	116.87 (10)	O32^ii—Na6B—O51	93.9 (8)
O34^x—Mg8—O73	86.42 (10)	O84—Na6B—O82	61.4 (6)
O34^x—Mg8—O33	93.99 (11)	O32^ii—Na6B—O82	126.4 (9)
O73—Mg8—O33	175.76 (11)	O51—Na6B—O82	68.9 (6)
O34^x—Mg8—O24	168.02 (12)	O84—Na6B—O123^vii	90.6 (8)
O73—Mg8—O24	86.68 (11)	O32^ii—Na6B—O123^vii	82.9 (7)
O33—Mg8—O24	92.18 (11)	O51—Na6B—O123^vii	164.2 (11)
O34^x—Mg8—O92^ii	90.61 (13)	O82—Na6B—O123^vii	125.2 (9)
O73—Mg8—O92^ii	109.37 (11)	O84—Na6B—P8	32.5 (3)
O33—Mg8—O92^ii	74.85 (10)	O32^ii—Na6B—P8	107.6 (8)
O24—Mg8—O92^ii	100.92 (13)	O51—Na6B—P8	95.5 (7)
O34^x—Mg8—O74	85.73 (11)	O84—Na6B—O102	112.7 (9)
O73—Mg8—O74	64.72 (10)	O32^ii—Na6B—O102	160.3 (9)
O33—Mg8—O74	111.08 (11)	O51—Na6B—O102	101.0 (7)
O24—Mg8—O74	82.46 (11)	O82—Na6B—O102	71.7 (6)
O92^ii—Mg8—O74	173.20 (11)	O123^vii—Na6B—O102	79.3 (6)
O51—Mg9—O11	170.37 (11)	O21—Na7—O62^vii	71.19 (10)
O51—Mg9—O42	90.56 (11)	O21—Na7—O52^vii	175.90 (13)
O11—Mg9—O42	98.84 (11)	O62^vii—Na7—O52^vii	105.79 (11)
O51—Mg9—O82	90.88 (11)	O21—Na7—O51^vii	118.77 (12)
O11—Mg9—O82	90.29 (11)	O62^vii—Na7—O51^vii	73.49 (10)
O42—Mg9—O82	95.45 (11)	O52^vii—Na7—O51^vii	62.08 (9)
O51—Mg9—O61	93.68 (10)	O21—Na7—O33	106.39 (11)
O11—Mg9—O61	86.03 (10)	O62^vii—Na7—O33	172.07 (13)
O42—Mg9—O61	79.65 (10)	O52^vii—Na7—O33	76.22 (10)
O82—Mg9—O61	173.33 (11)	O51^vii—Na7—O33	113.80 (11)
O51—Mg9—O62	84.68 (10)	O21—Na7—O32	73.07 (10)
O11—Mg9—O62	86.42 (10)	O62^vii—Na7—O32	126.61 (12)
O42—Mg9—O62	144.79 (10)	O52^vii—Na7—O32	111.02 (11)
O82—Mg9—O62	119.43 (11)	O51^vii—Na7—O32	91.05 (12)
O61—Mg9—O62	65.93 (10)	O33—Na7—O32	58.07 (9)
O22^i—Mg10—O61	91.41 (12)	O21—Na7—O24	57.73 (9)
O22^i—Mg10—O31^i	91.72 (11)	O62^vii—Na7—O24	105.48 (11)
O61—Mg10—O31^i	176.22 (11)	O52^vii—Na7—O24	121.50 (11)
O22^i—Mg10—O54	170.27 (12)	O51^vii—Na7—O24	176.33 (11)
O61—Mg10—O54	97.13 (12)	O33—Na7—O24	67.45 (9)
O31^i—Mg10—O54	79.59 (11)	O32—Na7—O24	86.79 (10)
O22^i—Mg10—O74^i	98.43 (12)	O21—Na7—O64^vii	112.98 (10)
O61—Mg10—O74^i	93.81 (12)	O62^vii—Na7—O64^vii	55.16 (8)
O31^i—Mg10—O74^i	87.84 (12)	O52^vii—Na7—O64^vii	62.94 (9)
O54—Mg10—O74^i	85.69 (12)	O51^vii—Na7—O64^vii	83.15 (10)
O22^i—Mg10—O42	88.42 (10)	O33—Na7—O64^vii	121.11 (11)
O61—Mg10—O42	77.65 (10)	O32—Na7—O64^vii	173.12 (10)
O31^i—Mg10—O42	100.31 (11)	O24—Na7—O64^vii	99.19 (11)
O54—Mg10—O42	88.87 (11)	O14—P1—O12	111.31 (15)
O74^i—Mg10—O42	169.24 (13)	O14—P1—O11	105.71 (14)
O84^vii—Mg11—O32	94.09 (12)	O12—P1—O11	111.10 (14)
O84^vii—Mg11—O44^iv	95.40 (13)	O14—P1—O13	111.63 (16)
O32—Mg11—O44^iv	89.42 (11)	O12—P1—O13	106.76 (15)
O84^vii—Mg11—O21	97.64 (13)	O11—P1—O13	110.40 (14)
O32—Mg11—O21	90.71 (10)	O24—P2—O23	108.65 (15)
O44^iv—Mg11—O21	166.92 (11)	O24—P2—O22	113.29 (14)
O84^vii—Mg11—O111	94.39 (12)	O23—P2—O22	110.23 (14)
O32—Mg11—O111	171.43 (11)	O24—P2—O21	110.68 (14)
O44^iv—Mg11—O111	88.59 (10)	O23—P2—O21	110.84 (13)
O21—Mg11—O111	89.35 (10)	O22—P2—O21	103.09 (14)
O84^vii—Mg11—O22	164.93 (12)	O32—P3—O34	109.86 (14)
O32—Mg11—O22	87.77 (10)	O32—P3—O33	109.62 (14)
O44^iv—Mg11—O22	99.57 (11)	O34—P3—O33	109.45 (14)
O21—Mg11—O22	67.36 (10)	O32—P3—O31	110.37 (14)
O111—Mg11—O22	84.35 (10)	O34—P3—O31	108.94 (14)
O102—Mg12—O23	167.90 (12)	O33—P3—O31	108.58 (14)
O102—Mg12—O112	87.94 (11)	O41—P4—O44	108.61 (14)
O23—Mg12—O112	84.65 (10)	O41—P4—O42	111.59 (14)
O102—Mg12—O82	98.62 (11)	O44—P4—O42	109.43 (14)
O23—Mg12—O82	90.89 (10)	O41—P4—O43	108.91 (15)
O112—Mg12—O82	164.95 (11)	O44—P4—O43	110.84 (15)
O102—Mg12—O83	92.58 (11)	O42—P4—O43	107.47 (14)
O23—Mg12—O83	84.68 (10)	O51—P5—O53	108.59 (14)
O112—Mg12—O83	128.81 (11)	O51—P5—O52	110.32 (14)
O82—Mg12—O83	64.75 (9)	O53—P5—O52	110.63 (15)
O102—Mg12—O43	86.15 (11)	O51—P5—O54	108.86 (14)
O23—Mg12—O43	101.55 (11)	O53—P5—O54	111.22 (15)
O112—Mg12—O43	77.74 (10)	O52—P5—O54	107.19 (15)
O82—Mg12—O43	89.13 (10)	O64—P6—O63	108.61 (15)
O83—Mg12—O43	153.40 (11)	O64—P6—O61	111.24 (14)
O102—Mg12—O114	81.14 (11)	O63—P6—O61	111.38 (14)
O23—Mg12—O114	86.87 (10)	O64—P6—O62	110.96 (15)
O112—Mg12—O114	59.90 (10)	O63—P6—O62	110.92 (14)
O82—Mg12—O114	134.33 (10)	O61—P6—O62	103.71 (14)
O83—Mg12—O114	69.63 (9)	O71—P7—O72	112.33 (14)
O43—Mg12—O114	135.95 (10)	O71—P7—O74	111.88 (15)
O101^vi—Mg13—O121^vii	156.32 (14)	O72—P7—O74	106.94 (17)
O101^vi—Mg13—O93B	134.74 (16)	O71—P7—O73	108.12 (14)
O121^vii—Mg13—O93B	68.93 (13)	O72—P7—O73	110.79 (15)
O101^vi—Mg13—O122^xvi	80.12 (13)	O74—P7—O73	106.66 (16)
O121^vii—Mg13—O122^xvi	95.91 (13)	O81—P8—O84	113.59 (16)
O93B—Mg13—O122^xvi	101.1 (3)	O81—P8—O82	107.49 (15)
O101^vi—Mg13—O94A	84.12 (16)	O84—P8—O82	113.73 (16)
O121^vii—Mg13—O94A	118.18 (16)	O81—P8—O83	111.09 (15)
O93B—Mg13—O94A	52.80 (18)	O84—P8—O83	107.78 (17)
O122^xvi—Mg13—O94A	78.36 (16)	O82—P8—O83	102.65 (15)
O101^vi—Mg13—O104	92.56 (12)	O92—P9—O93B	119.6 (4)
O121^vii—Mg13—O104	88.76 (12)	O92—P9—O94A	121.6 (3)
O93B—Mg13—O104	87.7 (3)	O93B—P9—O94A	76.0 (4)
O122^xvi—Mg13—O104	171.08 (14)	O92—P9—O91	110.18 (15)
O94A—Mg13—O104	106.13 (16)	O93B—P9—O91	115.3 (3)
O81^vii—Na1—O64^v	119.49 (12)	O94A—P9—O91	110.6 (3)
O81^vii—Na1—O113	121.35 (13)	O92—P9—O94B	99.2 (3)
O64^v—Na1—O113	87.14 (12)	O93B—P9—O94B	103.8 (5)
O81^vii—Na1—O93A	104.76 (13)	O91—P9—O94B	106.3 (3)
O64^v—Na1—O93A	119.48 (11)	O92—P9—O93A	104.1 (2)
O113—Na1—O93A	103.79 (15)	O94A—P9—O93A	105.0 (3)
O81^vii—Na1—O91	160.82 (13)	O91—P9—O93A	103.5 (2)
O64^v—Na1—O91	69.03 (9)	O94B—P9—O93A	132.5 (4)
O113—Na1—O91	74.30 (10)	O103—P10—O102	107.46 (16)
O93A—Na1—O91	58.12 (10)	O103—P10—O104	110.19 (17)
O94B—Na2—O94A	18.7 (2)	O102—P10—O104	111.35 (15)
O94B—Na2—O44^vi	119.98 (15)	O103—P10—O101	113.88 (17)
O94A—Na2—O44^vi	126.25 (15)	O102—P10—O101	108.93 (16)
O94B—Na2—O123^xvi	132.3 (2)	O104—P10—O101	105.08 (17)
O94A—Na2—O123^xvi	113.81 (17)	O114—P11—O113	112.21 (17)
O44^vi—Na2—O123^xvi	81.16 (11)	O114—P11—O112	107.53 (17)
O94B—Na2—O34^xvii	101.19 (17)	O113—P11—O112	111.17 (15)
O94A—Na2—O34^xvii	104.95 (12)	O114—P11—O111	111.11 (14)
O44^vi—Na2—O34^xvii	124.45 (11)	O113—P11—O111	105.41 (15)
O123^xvi—Na2—O34^xvii	98.19 (13)	O112—P11—O111	109.43 (15)
O94B—Na2—O32^xvii	140.2 (2)	O123—P12—O124	107.81 (18)
O94A—Na2—O32^xvii	155.48 (13)	O123—P12—O121	110.51 (17)
O44^vi—Na2—O32^xvii	68.87 (9)	O124—P12—O121	108.53 (19)
O123^xvi—Na2—O32^xvii	85.94 (12)	O123—P12—O122	110.99 (18)
O34^xvii—Na2—O32^xvii	55.77 (9)	O124—P12—O122	111.09 (18)
O94B—Na2—O31^xvii	85.1 (2)	O121—P12—O122	107.89 (18)

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