Na7Mg13Nd(PO4)12

Jerbi, H.; Hidouri, M.; Mongi, B.A.

doi:10.1107/S1600536812017850

Na₇Mg₁₃Nd(PO₄)₁₂

Investigations of the quasi-ternary system Na₃PO₄–Mg₃(PO₄)₂–NdPO₄ allowed us to obtain the new phosphate heptasodium tridecamagnesium neodymium dodecakisphosphate, Na₇Mg₁₃Nd(PO₄)₁₂, by applying a flux method. The crystal structure is isotypic with that of the previously reported Na₇Mg₁₃Ln(PO₄)₁₂ (Ln = Eu, La) compounds. It consists of a complex three-dimensional framework built up from an NdO₈ polyhedron (m symmetry), an MO₆ octahedron statistically occupied by M = Mg and Na, and eight MgO_x (x = 5, 6) polyhedra (four with site symmetry m), linked either directely by sharing corners, edges and faces, or by one of the eight unique PO₄ tetrahedra through common corners. Two of the PO₄ tetrahedra are statisticaly disordered over a mirror plane. The whole structure can be described as resutling from an assembly of two types of structural units, viz [Mg₄MP₄O₂₂]_∞² layers extending parallel to (100) and stacked along [100], and [Mg₄NdP₄O₃₆]_∞¹ undulating chains running along the [010] direction. The six different Na⁺ cations (five with site symmetry m and one with 0.5 occupancy) are situated in six distinct cavities delimited by the framework. The structure was refined from data of a racemic twin.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536812017850/wm2593sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536812017850/wm2593Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (Mg-O) = 0.004 Å
Disorder in main residue
R factor = 0.057
wR factor = 0.107
Data-to-parameter ratio = 28.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on     Nd       2.48 eA-3

Author Response: Difference may be explained by different algorithms in SHELXL and PLATON


Alert level B
PLAT975_ALERT_2_B Positive Residual Density at 0.59A from O84X   .       1.94 eA-3

Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT213_ALERT_2_C Atom Mg6             has ADP max/min Ratio .....        3.6 prola
PLAT213_ALERT_2_C Atom O41             has ADP max/min Ratio .....        3.6 prola
PLAT213_ALERT_2_C Atom O62             has ADP max/min Ratio .....        3.5 prola
PLAT215_ALERT_3_C Disordered Mg        has ADP max/min Ratio .....        3.1
PLAT215_ALERT_3_C Disordered Na        has ADP max/min Ratio .....        3.1
PLAT215_ALERT_3_C Disordered O72X      has ADP max/min Ratio .....        3.1
PLAT215_ALERT_3_C Disordered O73X      has ADP max/min Ratio .....        3.4
PLAT220_ALERT_2_C Large Non-Solvent   Mg     Ueq(max)/Ueq(min) ...        3.9 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...        3.5 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O62
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         P6
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   ND     --  NA3     ..       3.67 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG2    --  NA1     ..       3.54 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG2    --  MG5     ..       3.61 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG2    --  MG5     ..       3.61 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG4    --  MG      ..       3.51 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG5    --  NA3     ..       3.51 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG5    --  NA6     ..       3.61 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG5    --  NA5     ..       3.79 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG7    --  NA1     ..       3.53 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG7    --  MG      ..       3.60 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG8    --  NA4     ..       3.54 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   MG8    --  NA6     ..       3.60 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   NA6    --  MG8     ..       3.60 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   NA6    --  MG5     ..       3.61 Ang.
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          6
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.94 eA-3
PLAT975_ALERT_2_C Positive Residual Density at 0.95A from O62    .       0.72 eA-3
PLAT975_ALERT_2_C Positive Residual Density at 0.97A from O13    .       0.70 eA-3
PLAT976_ALERT_2_C Negative Residual Density at 0.42A from O84X   .      -0.76 eA-3

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           39.99
           From the CIF: _reflns_number_total              11948
           Count of symmetry unique reflns         6107
           Completeness (_total/calc)            195.64%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      5841
           Fraction of Friedel pairs measured     0.956
           Are heavy atom types Z>Si present        yes
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          3
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero .....      0.257
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      42.96
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Mg7    --  O44_q   ..        6.5 su
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Mg8    --  O61_l   ..        5.5 su
PLAT242_ALERT_2_G Check Low       Ueq as Compared to Neighbors for         P7
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................         11 Perc.
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ...................          9 Perc.
PLAT792_ALERT_1_G Note: The Model has Chirality at P2     (Verify)          R
PLAT792_ALERT_1_G Note: The Model has Chirality at P3     (Verify)          R
PLAT792_ALERT_1_G Note: The Model has Chirality at P4     (Verify)          R
PLAT792_ALERT_1_G Note: The Model has Chirality at P6     (Verify)          R

   1 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
  32 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  16 ALERT level G = General information/check it is not something unexpected

  21 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  17 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

Comment top

In recent years, the growing interest in new luminophores for light emitting diodes (LEDs) let to synthesis and characterization of news inorganic phosphates for use in next generation optical devices (Ngee et al., 2009; Shinde et al. 2011). The knowledge of the crystal structure is necessary to understand the luminescence properties of the synthesized materials. Bearing this in mind, we recently started a systematic investigation of rare earth phosphates belonging to the quasi-ternary Na₃PO₄–Mg₃(PO₄)₂–LnPO₄ (Ln is a lanthanoid) systems. As part of this ongoing study, the new phosphate Na₇Mg₁₃Nd(PO₄)₁₂ has been isolated in form of single crystals by applying a flux method. The underlying crystal structure is isotypic with the previously La and Eu analogues (Jerbi et al., 2010).

The complex framework structure of the title compound is displayed in Fig. 1. It consists of an assembly of NdO₈, MO₆ (M = 0.5 Mg + 0.5 Na) and MgO_x (x = 5, 6) polyhedra which are linked either directly through common corners, edges or faces, or by the phosphate groups. The Na⁺ cations are located within 6 crystallographically distinct cavities delimited by the framework.

As shown in Fig. 2, the whole structure can be decomposed into layers. [Mg₄MP₄O₂₂]_∞ layers extend parallel to (100) and are stacked along [100]. These layers are interconnected by [Mg₄NdP₄O₃₆]_∞ undulating chains which run along the [010] direction. The [Mg₄MP₄O₂₂]_∞ layer is made up of [Mg₂P₂O₁₂]_∞ chains alternating with [Mg₂MP₂O₁₄]_∞ ribbons, both spreading along the [010] direction. The [Mg₄NdP₄O₃₆]_∞ undulating chain (Fig. 4) is built from NdO₈, Mg(1)O₅ and Mg(4)O₆ polyhedra and Mg₂O₉ bioctahedral units of face-sharing MgO₆ octahedra. Such units are linked to each other by means of the PO₄ tetrahedra through common corners. The connection of the layers and the undulating chains induces a rigid skeleton which forms six distinct cavities, occupied by the Na⁺ cations.

The environment of the Nd³⁺ site consists of eight O atoms with Nd—O distances in the range 2.385 (5) - 2.529 (3) Å and a mean distance of 2.499 Å, close to that of 2.484 Å, observed for the 8-coordinate Nd³⁺ in NdP₅O₁₄ (Albrand et al., 1974). The M (M = 0.5 Mg + 0.5 Na) site is formally 8-coordinated. However, due to the statistically disordered phosphate tetrahedra (P7 with O73x and O74x; P8 with O83x and O(84)x), the effective number of O atoms surrounding the M is 6 (Fig. 5), and the average M—O distance is 2.175 Å. This is less than 2.230 Å as reported for the M (M = 0.5Mg + 0.5Na) site with a similar coordination in the molybdate Na₂Mg₅(MoO₄)₆ (Klevtsova et al., 1980). The eight distinct Mg²⁺ sites display various coordination polyhedra. Mg2 to Mg5 are 6-coordinate with Mg—O distances in the range 1.961 (6) - 2.223 (4) Å leading to an overall distance of 2.097 Å, slightly lower but consistent with that of 2.14 Å as reported for octahedrally surrounded Mg²⁺ ions in Mg₃(PO₄)₂ (Jaulmes et al., 1997). Mg1, Mg6, Mg7 and Mg8 are 5-coordinate with Mg—O distances in the range 1.925 (9) - 2.348 (8) Å, leading to an overall value of 2.066 Å, close to that 2.080 Å reported for the likewise 5-coordinate Mg²⁺ ion in NaMg₄(PO₄)₃ (Ben Amara et al., 1983). The P—O distances within the PO₄ tetrahedra are in the range 1.507 (6) - 1.563 (4) Å with an overall value of 1.533 Å, nearly the same of 1.537 Å as predicted by Baur for the orthophosphate group (Baur, 1974).

As already described above, the phosphate groups involving the atoms P7 and P8 are statistically disordered, occupying two positions which are slightly displaced from the (0,y,z) mirror plane. This leads to two orientations for each tetrahedron, namely a left and right orientation (Fig. 5). This behaviour is attributed to the need to accommodate the environments of neighboring Ln and M sites. For describing the environments of the Na⁺ cations Na—O distances below L_max = 3.13 Å, as suggested by Donnay and Allmann (1970) were taken into account. Hence their coordination numbers range from 5 to 10 with Na—O distances scattering from 1.968 (9) for the statistically disordered Na site to 2.979 (6) Å.

Related literature top

For the synthesis and luminescent properties of new phosphates for optical devices, see: Ngee et al. (2009); Shinde et al. (2011). The title structure is isotypic with Na₇Mg₁₃Ln(PO₄)₁₂ (Ln = La, Eu) (Jerbi et al., 2010). For P—O distances in orthophosphates, see: Baur (1974). For Mg—O distances, see: Ben Amara et al. (1983); Jaulmes et al. (1997); Klevtsova et al. (1980), For Na—O distances, see: Donnay & Allmann (1970), and for Nd—O distances, see: Albrand et al. (1974).

Experimental top

Single crystals of the Na₇Mg₁₃Nd(PO₄)₁₂ phoshate were grown in a flux of sodium molybdate Na₂MoO₄ starting from mixtures of Na₂CO₃, MgCO₃, Nd₂O₃, NH₄H₂PO₄ and Na₂MoO₄^.2H₂O in a molar ratio of 2.5:14:0.5:12:6. This mixture was ground in an agate mortar and heated in a platinum crucible for 24 h at 673 K to expel H₂O, CO₂ and NH₃. After being reground, the product was molten for 2 h at 1273 K and subsequently cooled down to 773 K with a 10Kh^-1 rate, after which the furnace was turned off. Hexagonally shaped crystals were obtained by washing the solidified product with warm water. Elemental analysis by ICP indicated the exclusive presence of Na, Nd, Mg and P in an atomic ratio of Na: Mg: Nd: P = 7.4:13.2: 0.95:12.

Computing details top

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1993); 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 top

	Fig. 1. Projection of the structure along the [100] direction.
	Fig. 2. Projection along the [001] direction showing the [Mg₄MP₄O₂₂]_∞ layers and the [Mg₄NdP₄O₃₆]_∞ undulating chains.
	Fig. 3. One [Mg₄MP₄O₂₂]_∞ layer
	Fig. 4. One [Mg₄NdP₄O₃₆]_∞ undulating chain
	Fig. 5. The left and right orientations of the (P7O₄)x and (P8O₄)x tetrahedra around the M site. Displacement ellipsoids are drawn at the 50% probability level.

heptasodium tridecamagnesium neodymium dodecakisphosphate top

Crystal data top

Na₇Mg₁₃Nd(PO₄)₁₂	D_x = 3.140 Mg m⁻³
M_r = 1760.84	Melting point: 1007 K
Orthorhombic, Cmc2₁	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: C 2c -2	Cell parameters from 44599 reflections
a = 10.301 (3) Å	θ = 2.4–40°
b = 15.461 (4) Å	µ = 2.38 mm⁻¹
c = 23.384 (6) Å	T = 293 K
V = 3724.2 (17) Å³	Parallelepiped, purple
Z = 4	0.40 × 0.22 × 0.17 mm
F(000) = 3428

Data collection top

Bruker–Nonius KappaCCD diffractometer	11948 independent reflections
Radiation source: fine-focus sealed tube	8244 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.103
non–profiled ω scans	θ_max = 40.0°, θ_min = 3.2°
Absorption correction: analytical (Alcock, 1970)	h = −12→18
T_min = 0.716, T_max = 0.878	k = −27→27
44522 measured reflections	l = −42→42

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)] = 0.057	w = 1/[σ²(F_o²) + (0.0124P)² + 42.9558P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.107	(Δ/σ)_max = 0.001
S = 1.05	Δρ_max = 2.37 e Å⁻³
11948 reflections	Δρ_min = −2.23 e Å⁻³
424 parameters	Absolute structure: Flack (1983), 5847 Friedel pairs
1 restraint	Absolute structure parameter: 0.257 (9)

Crystal data top

Na₇Mg₁₃Nd(PO₄)₁₂	V = 3724.2 (17) Å³
M_r = 1760.84	Z = 4
Orthorhombic, Cmc2₁	Mo Kα radiation
a = 10.301 (3) Å	µ = 2.38 mm⁻¹
b = 15.461 (4) Å	T = 293 K
c = 23.384 (6) Å	0.40 × 0.22 × 0.17 mm

Data collection top

Bruker–Nonius KappaCCD diffractometer	11948 independent reflections
Absorption correction: analytical (Alcock, 1970)	8244 reflections with I > 2σ(I)
T_min = 0.716, T_max = 0.878	R_int = 0.103
44522 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.057	w = 1/[σ²(F_o²) + (0.0124P)² + 42.9558P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.107	Δρ_max = 2.37 e Å⁻³
S = 1.05	Δρ_min = −2.23 e Å⁻³
11948 reflections	Absolute structure: Flack (1983), 5847 Friedel pairs
424 parameters	Absolute structure parameter: 0.257 (9)
1 restraint

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, 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 (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Nd	0.0000	0.54408 (2)	0.000015 (13)	0.00904 (5)
P1	0.21976 (9)	0.43115 (7)	0.05989 (4)	0.00612 (16)
O11	0.1824 (3)	0.3576 (2)	0.09995 (13)	0.0116 (6)
O12	0.3671 (3)	0.4462 (2)	0.05621 (14)	0.0129 (6)
O13	0.1558 (3)	0.41806 (18)	0.00077 (17)	0.0125 (5)
O14	0.1526 (3)	0.5162 (2)	0.08102 (14)	0.0112 (5)
P2	0.74694 (10)	0.46442 (7)	0.22216 (5)	0.00978 (18)
O21	0.7715 (4)	0.5517 (2)	0.19519 (16)	0.0232 (8)
O22	0.7106 (3)	0.4816 (2)	0.28494 (15)	0.0191 (7)
O23	0.6391 (3)	0.4113 (2)	0.19233 (14)	0.0125 (6)
O24	0.8668 (3)	0.4038 (2)	0.21746 (13)	0.0107 (5)
P3	0.24602 (11)	0.70154 (7)	0.98592 (4)	0.00913 (18)
O31	0.2995 (3)	0.6688 (2)	0.04252 (14)	0.0168 (7)
O32	0.1777 (4)	0.6272 (2)	0.95352 (15)	0.0170 (7)
O33	0.3605 (3)	0.7387 (2)	0.95155 (16)	0.0153 (6)
O34	0.1511 (3)	0.7784 (2)	0.98766 (14)	0.0160 (7)
P4	0.23934 (11)	0.72710 (8)	0.81954 (5)	0.0116 (2)
O41	0.3634 (4)	0.6820 (3)	0.8390 (2)	0.0337 (12)
O42	0.2489 (5)	0.7603 (3)	0.75815 (16)	0.0286 (9)
O43	0.1310 (3)	0.6600 (2)	0.82915 (14)	0.0143 (6)
O44	0.2043 (4)	0.8076 (2)	0.85537 (15)	0.0210 (8)
P5	0.0000	0.72322 (10)	0.11586 (7)	0.0069 (3)
O51	0.0000	0.6619 (3)	0.0654 (2)	0.0144 (8)
O52	0.0000	0.8177 (3)	0.09809 (19)	0.0105 (8)
O53	0.1213 (3)	0.7066 (2)	0.15281 (15)	0.0132 (6)
P6	0.5000	0.64818 (10)	0.16991 (6)	0.0060 (2)
O61	0.6206 (3)	0.7003 (2)	0.15437 (17)	0.0180 (7)
O62	0.5000	0.5682 (3)	0.1316 (2)	0.0294 (14)
O63	0.5000	0.6231 (4)	0.2330 (2)	0.0169 (10)
P7	0.02504 (19)	0.55827 (15)	0.36368 (10)	0.0078 (5)	0.50
O71	0.0000	0.5300 (3)	0.3018 (2)	0.0166 (9)
O72X	−0.020 (3)	0.6490 (5)	0.3742 (4)	0.037 (6)	0.50
O73X	0.0621 (7)	0.4980 (6)	0.3999 (3)	0.0252 (18)	0.50
O74X	0.1652 (7)	0.5446 (5)	0.3848 (3)	0.0177 (12)*	0.50
P8	0.5147 (8)	0.53079 (15)	0.39974 (9)	0.0120 (12)	0.50
O81	0.5000	0.5645 (4)	0.3388 (2)	0.0255 (13)
O82X	0.4470 (6)	0.5929 (4)	0.4417 (3)	0.0130 (12)	0.50
O83X	0.3373 (6)	0.5306 (4)	0.4107 (3)	0.0141 (12)	0.50
O84X	0.5429 (8)	0.4411 (6)	0.4069 (4)	0.037 (2)*	0.50
Mg1	0.0000	0.40172 (15)	0.28024 (9)	0.0100 (4)
Mg2	0.5000	0.43819 (13)	0.13099 (9)	0.0072 (4)
Mg3	0.0000	0.85120 (14)	0.01707 (9)	0.0082 (4)
Mg4	0.0000	0.78245 (17)	0.39476 (10)	0.0115 (4)
Mg5	0.76130 (15)	0.29805 (10)	0.17575 (7)	0.0091 (3)
Mg6	0.2319 (3)	0.63904 (12)	0.43096 (8)	0.0284 (5)
Mg7	0.34561 (18)	0.60958 (11)	0.28670 (8)	0.0187 (4)
Mg8	0.24440 (18)	0.61726 (10)	0.11851 (7)	0.0155 (3)
Mg	0.2460 (2)	0.56877 (13)	0.87518 (8)	0.0254 (5)	0.50
Na	0.2460 (2)	0.56877 (13)	0.87518 (8)	0.0254 (5)	0.50
Na1	0.0000	0.0937 (2)	0.78091 (13)	0.0195 (6)
Na2	0.0000	0.2634 (2)	0.40137 (14)	0.0226 (7)
Na3	0.0000	0.4531 (3)	0.14512 (14)	0.0235 (8)
Na4	0.5000	0.4330 (2)	0.52265 (14)	0.0230 (6)
Na5	0.5000	0.7765 (2)	0.05347 (18)	0.0352 (9)
Na6	0.9685 (5)	0.6495 (4)	0.2386 (2)	0.0455 (19)	0.50

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Nd	0.00955 (11)	0.00944 (11)	0.00815 (11)	0.000	0.000	0.00003 (13)
P1	0.0045 (4)	0.0058 (4)	0.0080 (4)	−0.0004 (3)	−0.0007 (3)	0.0007 (3)
O11	0.0116 (14)	0.0103 (14)	0.0129 (14)	−0.0008 (11)	−0.0013 (11)	0.0024 (11)
O12	0.0077 (12)	0.0131 (15)	0.0180 (14)	0.0004 (10)	−0.0045 (11)	0.0040 (12)
O13	0.0140 (12)	0.0133 (12)	0.0101 (11)	0.0056 (9)	−0.0042 (14)	−0.0014 (15)
O14	0.0107 (13)	0.0078 (12)	0.0152 (14)	0.0017 (10)	0.0009 (11)	−0.0026 (11)
P2	0.0077 (4)	0.0110 (5)	0.0107 (4)	0.0020 (4)	0.0012 (3)	0.0015 (4)
O21	0.032 (2)	0.0138 (16)	0.0238 (18)	−0.0055 (15)	−0.0075 (15)	0.0097 (14)
O22	0.0187 (16)	0.0227 (18)	0.0158 (16)	0.0043 (13)	0.0081 (13)	−0.0005 (14)
O23	0.0083 (13)	0.0147 (15)	0.0146 (15)	0.0024 (11)	0.0001 (10)	0.0006 (12)
O24	0.0075 (12)	0.0174 (14)	0.0073 (12)	0.0037 (11)	0.0006 (10)	0.0014 (11)
P3	0.0102 (4)	0.0082 (4)	0.0090 (4)	−0.0014 (3)	0.0035 (4)	0.0002 (3)
O31	0.0216 (17)	0.0185 (16)	0.0102 (14)	−0.0027 (13)	0.0001 (12)	0.0042 (12)
O32	0.0230 (17)	0.0127 (15)	0.0152 (15)	−0.0051 (13)	−0.0003 (13)	−0.0008 (12)
O33	0.0140 (14)	0.0133 (15)	0.0187 (15)	0.0007 (12)	0.0105 (12)	0.0022 (12)
O34	0.0102 (13)	0.0164 (15)	0.0213 (17)	0.0026 (11)	0.0038 (11)	−0.0065 (12)
P4	0.0090 (4)	0.0146 (5)	0.0113 (5)	0.0012 (4)	−0.0023 (4)	−0.0070 (4)
O41	0.0142 (16)	0.044 (3)	0.043 (2)	0.0165 (17)	−0.0161 (17)	−0.036 (2)
O42	0.041 (2)	0.031 (2)	0.0138 (18)	−0.0208 (19)	0.0055 (17)	−0.0077 (15)
O43	0.0123 (13)	0.0217 (17)	0.0088 (13)	−0.0002 (12)	−0.0021 (11)	−0.0017 (12)
O44	0.028 (2)	0.0195 (18)	0.0151 (16)	0.0066 (15)	−0.0036 (14)	−0.0102 (13)
P5	0.0079 (6)	0.0051 (6)	0.0076 (6)	0.000	0.000	0.0011 (5)
O51	0.021 (2)	0.0100 (19)	0.012 (2)	0.000	0.000	−0.0024 (16)
O52	0.015 (2)	0.0055 (18)	0.0110 (19)	0.000	0.000	0.0003 (15)
O53	0.0095 (14)	0.0115 (15)	0.0185 (15)	−0.0013 (11)	−0.0040 (11)	0.0006 (12)
P6	0.0053 (6)	0.0062 (6)	0.0065 (6)	0.000	0.000	0.0004 (5)
O61	0.0110 (15)	0.0175 (17)	0.0255 (19)	−0.0056 (12)	−0.0036 (13)	0.0066 (14)
O62	0.071 (5)	0.006 (2)	0.012 (2)	0.000	0.000	−0.0005 (18)
O63	0.019 (2)	0.023 (3)	0.009 (2)	0.000	0.000	0.0034 (18)
P7	0.0061 (12)	0.0098 (9)	0.0075 (8)	0.0002 (6)	0.0002 (6)	−0.0024 (7)
O71	0.027 (3)	0.014 (2)	0.0083 (19)	0.000	0.000	−0.0022 (16)
O72X	0.051 (18)	0.012 (3)	0.047 (5)	0.011 (5)	0.000 (5)	−0.012 (3)
O73X	0.019 (3)	0.049 (5)	0.008 (3)	0.021 (3)	0.001 (2)	0.007 (3)
P8	0.012 (4)	0.0146 (9)	0.0094 (7)	−0.0055 (11)	0.0032 (9)	−0.0058 (6)
O81	0.021 (3)	0.049 (4)	0.007 (2)	0.000	0.000	−0.007 (2)
O82X	0.014 (3)	0.018 (3)	0.007 (3)	−0.001 (2)	−0.004 (2)	−0.006 (2)
O83X	0.009 (3)	0.011 (3)	0.023 (3)	−0.004 (2)	0.007 (2)	−0.003 (2)
Mg1	0.0107 (9)	0.0119 (10)	0.0072 (9)	0.000	0.000	0.0004 (8)
Mg2	0.0089 (9)	0.0069 (9)	0.0057 (8)	0.000	0.000	−0.0012 (7)
Mg3	0.0084 (9)	0.0100 (9)	0.0063 (8)	0.000	0.000	0.0006 (7)
Mg4	0.0047 (8)	0.0212 (12)	0.0085 (9)	0.000	0.000	0.0029 (8)
Mg5	0.0094 (6)	0.0081 (6)	0.0097 (6)	0.0007 (5)	0.0006 (5)	0.0002 (5)
Mg6	0.0638 (15)	0.0095 (8)	0.0119 (8)	0.0020 (9)	0.0194 (9)	0.0014 (6)
Mg7	0.0232 (9)	0.0122 (8)	0.0207 (9)	−0.0036 (6)	0.0076 (7)	−0.0063 (7)
Mg8	0.0256 (8)	0.0089 (7)	0.0121 (7)	−0.0053 (6)	0.0074 (6)	−0.0026 (6)
Mg	0.0535 (14)	0.0087 (8)	0.0140 (8)	0.0107 (8)	−0.0124 (9)	−0.0020 (7)
Na	0.0535 (14)	0.0087 (8)	0.0140 (8)	0.0107 (8)	−0.0124 (9)	−0.0020 (7)
Na1	0.0121 (12)	0.0292 (17)	0.0172 (14)	0.000	0.000	−0.0063 (13)
Na2	0.0154 (14)	0.0356 (19)	0.0167 (15)	0.000	0.000	0.0073 (14)
Na3	0.0152 (15)	0.043 (2)	0.0125 (14)	0.000	0.000	0.0112 (14)
Na4	0.0312 (17)	0.0170 (14)	0.0208 (15)	0.000	0.000	−0.0035 (12)
Na5	0.0243 (17)	0.0295 (19)	0.052 (2)	0.000	0.000	−0.0176 (17)
Na6	0.047 (5)	0.057 (3)	0.032 (3)	0.009 (3)	0.000 (2)	0.029 (3)

Geometric parameters (Å, º) top

Nd—O51	2.379 (5)	P8—Mg6^vii	3.185 (7)
Nd—O32ⁱ	2.487 (4)	P8—Na^v	3.219 (7)
Nd—O32ⁱⁱ	2.487 (4)	O81—P8^vii	1.525 (6)
Nd—O14ⁱⁱⁱ	2.499 (3)	O81—Mg7	2.121 (4)
Nd—O14	2.499 (3)	O81—Mg7^vii	2.121 (4)
Nd—O73X^iv	2.513 (7)	O81—Na1^x	2.796 (7)
Nd—O73X^v	2.513 (7)	O82X—O82X^vii	1.091 (13)
Nd—O13ⁱⁱⁱ	2.525 (3)	O82X—P8^vii	1.428 (7)
Nd—O13	2.525 (3)	O82X—O83X	1.652 (9)
Nd—P1ⁱⁱⁱ	3.1834 (12)	O82X—Mg3^xiii	2.037 (6)
Nd—P1	3.1834 (12)	O82X—Mg6	2.342 (7)
Nd—Na3	3.673 (3)	O82X—Na2^xvi	2.853 (8)
P1—O11	1.523 (3)	O83X—P8^vii	1.546 (10)
P1—O12	1.538 (3)	O83X—Na^v	1.984 (7)
P1—O13	1.545 (4)	O83X—Mg^v	1.984 (7)
P1—O14	1.565 (3)	O83X—Mg6	2.052 (7)
P1—Na3	3.035 (3)	O84X—O84X^vii	0.885 (17)
P1—Mg8	3.197 (2)	O84X—P8^vii	1.517 (10)
P1—Na5^vi	3.296 (3)	O84X—Na^ix	2.303 (9)
O11—Mg5^vii	2.079 (3)	O84X—Mg^ix	2.303 (9)
O11—Na5^vi	2.507 (4)	O84X—Mg4^viii	2.509 (10)
O11—Na3	2.613 (4)	O84X—Na4	2.745 (10)
O12—Mg3^viii	2.206 (4)	Mg1—O24^xviii	2.010 (3)
O12—Mg2	2.224 (3)	Mg1—O24^vii	2.010 (3)
O12—Na4^ix	2.445 (4)	Mg1—O43^iv	2.010 (4)
O13—Mg6^v	2.015 (4)	Mg1—O43^v	2.010 (4)
O13—Na5^vi	2.981 (5)	Mg1—P2^xviii	3.0952 (17)
O14—Mg8	2.026 (3)	Mg1—P2^vii	3.0952 (17)
O14—Na3	2.381 (4)	Mg1—P7ⁱⁱⁱ	3.119 (3)
P2—O21	1.511 (4)	Mg1—Na3	3.258 (4)
P2—O22	1.538 (4)	Mg1—Na^v	3.400 (3)
P2—O23	1.547 (4)	Mg1—Mg^v	3.400 (3)
P2—O24	1.554 (3)	Mg2—O52^viii	2.015 (5)
P2—Mg5	2.796 (2)	Mg2—O23^vii	2.070 (4)
P2—Mg7^vii	2.868 (2)	Mg2—O12^vii	2.224 (3)
P2—Na1^x	3.027 (2)	Mg2—Mg3^viii	2.984 (3)
P2—Mg1^xi	3.0952 (17)	Mg2—Na4^ix	3.222 (4)
P2—Na3^xi	3.174 (2)	Mg2—Na1^x	3.540 (4)
O21—Mg8^vii	2.066 (4)	Mg2—Mg5^vii	3.610 (2)
O21—Mg7^vii	2.614 (5)	Mg2—Mg5	3.610 (2)
O21—Na6	2.727 (7)	Mg3—O82X^xxi	2.037 (6)
O22—Mg7^vii	2.062 (4)	Mg3—O82X^xxii	2.037 (6)
O22—Na^ix	2.293 (4)	Mg3—O34ⁱ	2.040 (3)
O22—Mg^ix	2.293 (4)	Mg3—O34ⁱⁱ	2.040 (3)
O22—Na1^x	2.464 (4)	Mg3—O12^xxiii	2.206 (4)
O23—Mg2	2.070 (4)	Mg3—O12^xix	2.206 (4)
O23—Mg5	2.191 (4)	Mg3—Mg2^xix	2.984 (3)
O23—Na1^x	2.520 (4)	Mg3—Na2^iv	3.234 (4)
O24—Mg1^xi	2.010 (3)	Mg3—Na4^xxii	3.338 (4)
O24—Mg5	2.192 (4)	Mg3—Mg6^xxi	3.421 (3)
O24—Na3^xi	2.308 (4)	Mg4—O33^xxi	1.984 (4)
P3—O31^xii	1.521 (3)	Mg4—O33^xxii	1.984 (4)
P3—O33	1.538 (3)	Mg4—O41^xxi	1.995 (4)
P3—O34	1.540 (3)	Mg4—O41^xxii	1.995 (4)
P3—O32	1.546 (4)	Mg4—O72Xⁱⁱⁱ	2.129 (8)
P3—Mg6^xiii	2.789 (2)	Mg4—O84X^xix	2.509 (10)
P3—Na2^xiv	3.260 (2)	Mg4—O84X^xxiii	2.509 (10)
P3—Na5^xii	3.269 (3)	Mg4—Na1^iv	3.279 (4)
P3—Na4^xv	3.451 (2)	Mg4—Mg6ⁱⁱⁱ	3.368 (3)
O31—P3ⁱⁱ	1.521 (3)	Mg4—Mg6	3.368 (3)
O31—Mg8	2.029 (4)	Mg4—Mg^xxii	3.514 (3)
O31—Na4^ix	2.638 (4)	Mg5—O61^xxiv	2.004 (4)
O31—Na5	2.665 (4)	Mg5—O11^vii	2.079 (3)
O32—Mg	2.160 (4)	Mg5—O53^viii	2.089 (4)
O32—Nd^xii	2.487 (4)	Mg5—O42^ix	2.130 (4)
O32—Na2^xiv	2.775 (5)	Mg5—Mg8^viii	3.104 (2)
O33—Mg4^xiii	1.984 (4)	Mg5—Na3^xi	3.508 (3)
O33—Mg6^xiii	2.171 (4)	Mg5—Na6^xxiv	3.612 (5)
O33—Na5^xii	2.844 (5)	Mg5—Na5^viii	3.786 (4)
O34—Mg3^xii	2.040 (3)	Mg6—O13^xxv	2.015 (4)
O34—Mg6^xiii	2.200 (4)	Mg6—O44^xxii	2.058 (4)
O34—Na2^xiv	2.629 (4)	Mg6—O33^xxii	2.171 (4)
P4—O41	1.525 (4)	Mg6—O34^xxii	2.200 (4)
P4—O42	1.528 (4)	Mg6—O72Xⁱⁱⁱ	2.56 (2)
P4—O43	1.540 (4)	Mg6—P3^xxii	2.789 (2)
P4—O44	1.543 (4)	Mg6—P8^vii	3.185 (7)
P4—Mg	2.773 (2)	Mg7—O22^vii	2.062 (4)
P4—Mg7^xiii	2.780 (2)	Mg7—O44^xxii	2.117 (4)
P4—Na2^xiv	3.124 (2)	Mg7—O42^xxii	2.332 (5)
O41—Mg4^xiii	1.995 (4)	Mg7—O21^vii	2.614 (5)
O41—Mg	2.289 (6)	Mg7—P4^xxii	2.780 (2)
O41—Na1^xvi	2.386 (5)	Mg7—P2^vii	2.868 (2)
O42—Mg5^xv	2.130 (4)	Mg7—Mg7^vii	3.181 (4)
O42—Mg7^xiii	2.332 (5)	Mg7—Na6^vii	3.481 (6)
O42—Na6^xvii	2.696 (7)	Mg7—Na1^x	3.525 (4)
O43—Mg1^xiv	2.010 (4)	Mg7—Mg^v	3.597 (3)
O43—Mg	2.133 (4)	Mg8—O21^vii	2.066 (4)
O43—Na2^xiv	2.465 (4)	Mg8—O61^vii	2.070 (4)
O44—Mg6^xiii	2.058 (4)	Mg8—Mg5^xix	3.104 (2)
O44—Mg7^xiii	2.117 (4)	Mg8—Na4^ix	3.544 (3)
O44—Na2^xiv	2.606 (5)	Mg8—Na6^vii	3.598 (6)
P5—O51	1.513 (5)	Mg—O74X^xxv	1.954 (8)
P5—O52	1.519 (5)	Mg—O83X^xxv	1.984 (7)
P5—O53ⁱⁱⁱ	1.541 (3)	Mg—O73X^xxv	2.233 (7)
P5—O53	1.541 (3)	Mg—O22^xv	2.293 (4)
P5—Mg8ⁱⁱⁱ	3.004 (2)	Mg—O84X^xv	2.303 (9)
P5—Mg8	3.004 (2)	Mg—P8^xv	2.962 (7)
P5—Mg3	3.042 (3)	Mg—P7^xxv	3.018 (3)
P5—Na6^vii	3.106 (5)	Mg—Mg1^xiv	3.400 (3)
P5—Na6^xviii	3.106 (5)	Na1—O41^xxvi	2.386 (5)
O52—Mg3	1.964 (5)	Na1—O41^vi	2.386 (5)
O52—Mg2^xix	2.015 (5)	Na1—O22^xxvii	2.464 (4)
O53—Mg8	2.040 (4)	Na1—O22^xxviii	2.464 (4)
O53—Mg5^xix	2.089 (4)	Na1—O23^xxvii	2.520 (4)
O53—Na6^vii	2.380 (6)	Na1—O23^xxviii	2.520 (4)
O53—Na6^xviii	2.699 (6)	Na1—O81^xxvii	2.796 (7)
P6—O61^vii	1.524 (4)	Na1—P2^xxvii	3.027 (2)
P6—O61	1.524 (4)	Na1—P2^xxviii	3.027 (2)
P6—O62	1.526 (5)	Na1—Mg4^xiv	3.279 (4)
P6—O63	1.526 (5)	Na1—P8^xxviii	3.384 (4)
P6—Mg8	2.934 (2)	Na1—P8^xxvii	3.384 (4)
P6—Mg8^vii	2.934 (2)	Na2—O43^iv	2.465 (4)
P6—Na5	3.369 (5)	Na2—O43^v	2.465 (4)
O61—Mg5^xx	2.004 (4)	Na2—O44^iv	2.606 (5)
O61—Mg8^vii	2.070 (4)	Na2—O44^v	2.606 (5)
O61—Na5	2.915 (6)	Na2—O34^iv	2.629 (4)
O62—Mg2	2.011 (6)	Na2—O34^v	2.629 (4)
O62—Na4^ix	2.548 (6)	Na2—O32^v	2.775 (5)
O62—Mg8	2.757 (3)	Na2—O32^iv	2.775 (5)
O62—Mg8^vii	2.757 (3)	Na2—O82X^vi	2.853 (8)
O63—Mg7^vii	2.037 (4)	Na2—O82X^xxvi	2.853 (8)
O63—Mg7	2.037 (4)	Na2—P4^iv	3.124 (2)
P7—P7ⁱⁱⁱ	0.516 (4)	Na2—P4^v	3.124 (2)
P7—O73X	1.316 (8)	Na3—O24^vii	2.308 (4)
P7—O72Xⁱⁱⁱ	1.424 (7)	Na3—O24^xviii	2.308 (4)
P7—O72X	1.497 (12)	Na3—O14ⁱⁱⁱ	2.381 (4)
P7—O71	1.534 (5)	Na3—O11ⁱⁱⁱ	2.613 (4)
P7—O74X	1.540 (7)	Na3—P1ⁱⁱⁱ	3.035 (3)
P7—O73Xⁱⁱⁱ	1.546 (7)	Na3—P2^vii	3.174 (2)
P7—O74Xⁱⁱⁱ	2.032 (7)	Na3—P2^xviii	3.174 (2)
P7—Mg6	2.929 (3)	Na3—Na5^vi	3.470 (5)
P7—Na^v	3.018 (3)	Na4—O12^xv	2.445 (4)
P7—Mg^v	3.018 (3)	Na4—O12^xxv	2.445 (4)
P7—Mg1	3.119 (3)	Na4—O62^xv	2.548 (6)
O71—P7ⁱⁱⁱ	1.534 (5)	Na4—O31^xxv	2.638 (4)
O71—Mg1	2.046 (5)	Na4—O31^xv	2.638 (4)
O71—Na6^xviii	2.387 (7)	Na4—O84X^vii	2.745 (10)
O71—Na6^vii	2.387 (7)	Na4—Mg2^xv	3.222 (4)
O72X—O72Xⁱⁱⁱ	0.41 (6)	Na4—P8^vii	3.251 (4)
O72X—P7ⁱⁱⁱ	1.424 (7)	Na4—Na5^xv	3.319 (5)
O72X—Mg4	2.129 (8)	Na4—Mg3^xiii	3.338 (4)
O72X—Mg6ⁱⁱⁱ	2.56 (2)	Na5—O11^xvi	2.507 (4)
O73X—O73Xⁱⁱⁱ	1.279 (14)	Na5—O11^xxiii	2.507 (4)
O73X—O74X	1.332 (11)	Na5—O31^vii	2.665 (4)
O73X—P7ⁱⁱⁱ	1.546 (7)	Na5—O33ⁱⁱ	2.844 (5)
O73X—Na^v	2.233 (7)	Na5—O33^xxix	2.844 (5)
O73X—Mg^v	2.233 (7)	Na5—O61^vii	2.915 (6)
O73X—Nd^xiv	2.513 (7)	Na5—O13^xxiii	2.981 (5)
O74X—Mg6	1.941 (8)	Na5—O13^xvi	2.981 (5)
O74X—Na^v	1.954 (8)	Na5—P3ⁱⁱ	3.269 (3)
O74X—Mg^v	1.954 (8)	Na5—P3^xxix	3.269 (3)
O74X—P7ⁱⁱⁱ	2.032 (7)	Na6—Na6^xxx	0.649 (11)
P8—P8^vii	0.304 (16)	Na6—O53^vii	2.380 (6)
P8—O84X	1.426 (10)	Na6—O71^xi	2.387 (7)
P8—O82X^vii	1.428 (7)	Na6—O42^xxxi	2.696 (7)
P8—O84X^vii	1.517 (10)	Na6—O53^xi	2.699 (6)
P8—O81	1.525 (6)	Na6—P5^xi	3.106 (5)
P8—O82X	1.540 (7)	Na6—P7^vii	3.247 (5)
P8—O83X^vii	1.546 (10)	Na6—P7^xi	3.298 (5)
P8—O83X	1.846 (10)	Na6—Mg7^vii	3.481 (6)
P8—Na^ix	2.962 (7)	Na6—Mg8^vii	3.598 (6)
P8—Mg^ix	2.962 (7)	Na6—Mg5^xx	3.612 (5)

O51—Nd—O32ⁱ	83.43 (11)	O34^xxii—Mg6—O72Xⁱⁱⁱ	138.2 (2)
O51—Nd—O32ⁱⁱ	83.43 (11)	O82X—Mg6—O72Xⁱⁱⁱ	151.8 (3)
O32ⁱ—Nd—O32ⁱⁱ	94.83 (17)	O63—Mg7—O22^vii	107.8 (2)
O51—Nd—O14ⁱⁱⁱ	69.20 (11)	O63—Mg7—O44^xxii	126.5 (2)
O32ⁱ—Nd—O14ⁱⁱⁱ	87.56 (11)	O22^vii—Mg7—O44^xxii	121.83 (17)
O32ⁱⁱ—Nd—O14ⁱⁱⁱ	152.10 (10)	O63—Mg7—O81	78.59 (17)
O51—Nd—O14	69.20 (11)	O22^vii—Mg7—O81	84.7 (2)
O32ⁱ—Nd—O14	152.10 (10)	O44^xxii—Mg7—O81	86.87 (19)
O32ⁱⁱ—Nd—O14	87.56 (11)	O63—Mg7—O42^xxii	93.50 (19)
O14ⁱⁱⁱ—Nd—O14	77.97 (14)	O22^vii—Mg7—O42^xxii	134.79 (17)
O51—Nd—O73X^iv	142.9 (2)	O44^xxii—Mg7—O42^xxii	66.04 (15)
O32ⁱ—Nd—O73X^iv	62.54 (18)	O81—Mg7—O42^xxii	139.5 (2)
O32ⁱⁱ—Nd—O73X^iv	85.0 (2)	O63—Mg7—O21^vii	83.75 (16)
O14ⁱⁱⁱ—Nd—O73X^iv	120.1 (2)	O22^vii—Mg7—O21^vii	61.68 (13)
O14—Nd—O73X^iv	145.25 (18)	O44^xxii—Mg7—O21^vii	135.69 (17)
O51—Nd—O73X^v	142.9 (2)	O81—Mg7—O21^vii	134.72 (19)
O32ⁱ—Nd—O73X^v	85.0 (2)	O42^xxii—Mg7—O21^vii	82.42 (14)
O32ⁱⁱ—Nd—O73X^v	62.54 (18)	O14—Mg8—O31	93.14 (15)
O14ⁱⁱⁱ—Nd—O73X^v	145.25 (18)	O14—Mg8—O53	113.75 (15)
O14—Nd—O73X^v	120.1 (2)	O31—Mg8—O53	104.63 (16)
O51—Nd—O13ⁱⁱⁱ	125.91 (10)	O14—Mg8—O21^vii	87.71 (16)
O32ⁱ—Nd—O13ⁱⁱⁱ	86.19 (11)	O31—Mg8—O21^vii	167.17 (18)
O32ⁱⁱ—Nd—O13ⁱⁱⁱ	150.44 (11)	O53—Mg8—O21^vii	86.66 (16)
O14ⁱⁱⁱ—Nd—O13ⁱⁱⁱ	57.41 (11)	O14—Mg8—O61^vii	165.25 (16)
O14—Nd—O13ⁱⁱⁱ	105.15 (11)	O31—Mg8—O61^vii	85.58 (16)
O73X^iv—Nd—O13ⁱⁱⁱ	69.2 (2)	O53—Mg8—O61^vii	80.71 (14)
O73X^v—Nd—O13ⁱⁱⁱ	88.21 (19)	O21^vii—Mg8—O61^vii	90.34 (17)
O51—Nd—O13	125.91 (10)	O14—Mg8—O62	106.35 (15)
O32ⁱ—Nd—O13	150.44 (11)	O31—Mg8—O62	86.43 (16)
O32ⁱⁱ—Nd—O13	86.19 (11)	O53—Mg8—O62	137.41 (16)
O14ⁱⁱⁱ—Nd—O13	105.15 (11)	O21^vii—Mg8—O62	81.06 (17)
O14—Nd—O13	57.41 (11)	O61^vii—Mg8—O62	58.92 (15)
O73X^iv—Nd—O13	88.21 (19)	O74X^xxv—Mg—O83X^xxv	57.2 (3)
O73X^v—Nd—O13	69.2 (2)	O74X^xxv—Mg—O43	114.5 (2)
O13ⁱⁱⁱ—Nd—O13	78.96 (13)	O83X^xxv—Mg—O43	170.6 (3)
O11—P1—O12	113.35 (18)	O74X^xxv—Mg—O32	98.0 (2)
O11—P1—O13	110.18 (18)	O83X^xxv—Mg—O32	97.0 (2)
O12—P1—O13	112.99 (18)	O43—Mg—O32	88.34 (15)
O11—P1—O14	108.76 (18)	O74X^xxv—Mg—O73X^xxv	36.3 (3)
O12—P1—O14	109.08 (18)	O83X^xxv—Mg—O73X^xxv	86.3 (3)
O13—P1—O14	101.78 (16)	O43—Mg—O73X^xxv	88.0 (3)
O21—P2—O22	106.5 (2)	O32—Mg—O73X^xxv	72.4 (2)
O21—P2—O23	113.9 (2)	O74X^xxv—Mg—O41	162.5 (3)
O22—P2—O23	110.3 (2)	O83X^xxv—Mg—O41	119.8 (2)
O21—P2—O24	112.1 (2)	O43—Mg—O41	66.51 (14)
O22—P2—O24	111.42 (19)	O32—Mg—O41	99.53 (16)
O23—P2—O24	102.61 (18)	O73X^xxv—Mg—O41	153.8 (3)
O31^xii—P3—O33	107.5 (2)	O74X^xxv—Mg—O22^xv	83.3 (2)
O31^xii—P3—O34	117.7 (2)	O83X^xxv—Mg—O22^xv	91.7 (2)
O33—P3—O34	102.28 (19)	O43—Mg—O22^xv	82.45 (14)
O31^xii—P3—O32	110.1 (2)	O32—Mg—O22^xv	170.34 (17)
O33—P3—O32	111.7 (2)	O73X^xxv—Mg—O22^xv	104.3 (2)
O34—P3—O32	107.3 (2)	O41—Mg—O22^xv	79.46 (16)
O41—P4—O42	112.4 (3)	O74X^xxv—Mg—O84X^xv	107.8 (3)
O41—P4—O43	104.8 (2)	O83X^xxv—Mg—O84X^xv	50.7 (3)
O42—P4—O43	114.2 (2)	O43—Mg—O84X^xv	137.0 (3)
O41—P4—O44	113.7 (2)	O32—Mg—O84X^xv	93.5 (3)
O42—P4—O44	104.7 (2)	O73X^xxv—Mg—O84X^xv	133.4 (3)
O43—P4—O44	107.1 (2)	O41—Mg—O84X^xv	70.8 (3)
O51—P5—O52	112.9 (3)	O22^xv—Mg—O84X^xv	95.2 (3)
O51—P5—O53ⁱⁱⁱ	109.44 (18)	O41^xxvi—Na1—O41^vi	72.3 (2)
O52—P5—O53ⁱⁱⁱ	108.27 (17)	O41^xxvi—Na1—O22^xxvii	140.18 (17)
O51—P5—O53	109.44 (18)	O41^vi—Na1—O22^xxvii	74.28 (14)
O52—P5—O53	108.27 (17)	O41^xxvi—Na1—O22^xxviii	74.28 (14)
O53ⁱⁱⁱ—P5—O53	108.4 (3)	O41^vi—Na1—O22^xxviii	140.18 (17)
O61^vii—P6—O61	109.1 (3)	O22^xxvii—Na1—O22^xxviii	123.4 (2)
O61^vii—P6—O62	106.7 (2)	O41^xxvi—Na1—O23^xxvii	145.3 (2)
O61—P6—O62	106.7 (2)	O41^vi—Na1—O23^xxvii	98.65 (13)
O61^vii—P6—O63	111.39 (19)	O22^xxvii—Na1—O23^xxvii	61.06 (12)
O61—P6—O63	111.39 (19)	O22^xxviii—Na1—O23^xxvii	121.17 (16)
O62—P6—O63	111.2 (3)	O41^xxvi—Na1—O23^xxviii	98.65 (14)
O73X—P7—O72Xⁱⁱⁱ	126.7 (7)	O41^vi—Na1—O23^xxviii	145.3 (2)
O73X—P7—O72X	130.4 (5)	O22^xxvii—Na1—O23^xxviii	121.17 (16)
O73X—P7—O71	117.0 (4)	O22^xxviii—Na1—O23^xxviii	61.06 (12)
O72Xⁱⁱⁱ—P7—O71	115.9 (5)	O23^xxvii—Na1—O23^xxviii	69.34 (17)
O72X—P7—O71	111.7 (5)	O41^xxvi—Na1—O81^xxvii	102.98 (19)
O72Xⁱⁱⁱ—P7—O74X	96.5 (11)	O41^vi—Na1—O81^xxvii	102.98 (19)
O72X—P7—O74X	111.4 (10)	O22^xxvii—Na1—O81^xxvii	64.39 (11)
O71—P7—O74X	114.9 (3)	O22^xxviii—Na1—O81^xxvii	64.39 (11)
O72Xⁱⁱⁱ—P7—O73Xⁱⁱⁱ	118.5 (9)	O23^xxvii—Na1—O81^xxvii	111.76 (16)
O72X—P7—O73Xⁱⁱⁱ	107.2 (9)	O23^xxviii—Na1—O81^xxvii	111.76 (16)
O71—P7—O73Xⁱⁱⁱ	104.3 (3)	O43^iv—Na2—O43^v	66.40 (17)
O74X—P7—O73Xⁱⁱⁱ	106.6 (4)	O43^iv—Na2—O44^iv	58.49 (12)
O73X—P7—O74Xⁱⁱⁱ	92.9 (4)	O43^v—Na2—O44^iv	111.21 (16)
O72Xⁱⁱⁱ—P7—O74Xⁱⁱⁱ	91.4 (11)	O43^iv—Na2—O44^v	111.21 (16)
O72X—P7—O74Xⁱⁱⁱ	76.0 (10)	O43^v—Na2—O44^v	58.49 (12)
O71—P7—O74Xⁱⁱⁱ	92.1 (2)	O44^iv—Na2—O44^v	107.7 (2)
O74X—P7—O74Xⁱⁱⁱ	144.3 (5)	O43^iv—Na2—O34^iv	108.65 (10)
O84X—P8—O82X^vii	121.1 (5)	O43^v—Na2—O34^iv	165.5 (2)
P8^vii—P8—O84X^vii	66.9 (4)	O44^iv—Na2—O34^iv	74.65 (12)
O82X^vii—P8—O84X^vii	130.2 (5)	O44^v—Na2—O34^iv	133.75 (17)
O84X—P8—O81	117.6 (5)	O43^iv—Na2—O34^v	165.5 (2)
O82X^vii—P8—O81	116.1 (4)	O43^v—Na2—O34^v	108.65 (10)
O84X^vii—P8—O81	112.1 (5)	O44^iv—Na2—O34^v	133.75 (17)
O84X—P8—O82X	128.5 (5)	O44^v—Na2—O34^v	74.65 (12)
O84X^vii—P8—O82X	108.8 (6)	O34^iv—Na2—O34^v	72.59 (16)
O81—P8—O82X	109.7 (4)	O43^iv—Na2—O32^v	111.67 (17)
O84X—P8—O83X^vii	77.2 (5)	O43^v—Na2—O32^v	69.32 (12)
O82X^vii—P8—O83X^vii	67.4 (4)	O44^iv—Na2—O32^v	166.14 (17)
O84X^vii—P8—O83X^vii	111.5 (5)	O44^v—Na2—O32^v	84.56 (11)
O81—P8—O83X^vii	104.7 (4)	O34^iv—Na2—O32^v	101.72 (15)
O82X—P8—O83X^vii	110.0 (4)	O34^v—Na2—O32^v	54.69 (11)
O84X—P8—O83X	100.6 (5)	O43^iv—Na2—O32^iv	69.32 (12)
O82X^vii—P8—O83X	100.3 (4)	O43^v—Na2—O32^iv	111.67 (17)
O84X^vii—P8—O83X	66.1 (5)	O44^iv—Na2—O32^iv	84.56 (11)
O81—P8—O83X	91.8 (4)	O44^v—Na2—O32^iv	166.14 (17)
O82X—P8—O83X	57.6 (4)	O34^iv—Na2—O32^iv	54.69 (11)
O83X^vii—P8—O83X	162.4 (5)	O34^v—Na2—O32^iv	101.72 (15)
O24^xviii—Mg1—O24^vii	86.12 (19)	O32^v—Na2—O32^iv	82.55 (18)
O24^xviii—Mg1—O43^iv	87.97 (13)	O43^iv—Na2—O82X^vi	124.47 (17)
O24^vii—Mg1—O43^iv	151.84 (19)	O43^v—Na2—O82X^vi	140.8 (2)
O24^xviii—Mg1—O43^v	151.84 (19)	O44^iv—Na2—O82X^vi	65.98 (16)
O24^vii—Mg1—O43^v	87.97 (13)	O44^v—Na2—O82X^vi	84.37 (18)
O43^iv—Mg1—O43^v	84.4 (2)	O34^iv—Na2—O82X^vi	53.55 (16)
O24^xviii—Mg1—O71	99.48 (16)	O34^v—Na2—O82X^vi	68.42 (16)
O24^vii—Mg1—O71	99.48 (16)	O32^v—Na2—O82X^vi	122.98 (17)
O43^iv—Mg1—O71	108.65 (16)	O32^iv—Na2—O82X^vi	106.98 (16)
O43^v—Mg1—O71	108.65 (16)	O43^iv—Na2—O82X^xxvi	140.8 (2)
O62—Mg2—O52^viii	158.0 (2)	O43^v—Na2—O82X^xxvi	124.47 (17)
O62—Mg2—O23	101.27 (16)	O44^iv—Na2—O82X^xxvi	84.37 (18)
O52^viii—Mg2—O23	94.54 (15)	O44^v—Na2—O82X^xxvi	65.98 (16)
O62—Mg2—O23^vii	101.27 (16)	O34^iv—Na2—O82X^xxvi	68.42 (16)
O52^viii—Mg2—O23^vii	94.54 (15)	O34^v—Na2—O82X^xxvi	53.55 (16)
O23—Mg2—O23^vii	87.7 (2)	O32^v—Na2—O82X^xxvi	106.98 (16)
O62—Mg2—O12	87.15 (16)	O32^iv—Na2—O82X^xxvi	122.98 (17)
O52^viii—Mg2—O12	75.59 (14)	O82X^vi—Na2—O82X^xxvi	22.1 (3)
O23—Mg2—O12	169.17 (16)	O24^vii—Na3—O24^xviii	72.97 (18)
O23^vii—Mg2—O12	97.46 (13)	O24^vii—Na3—O14ⁱⁱⁱ	171.6 (2)
O62—Mg2—O12^vii	87.15 (16)	O24^xviii—Na3—O14ⁱⁱⁱ	101.77 (11)
O52^viii—Mg2—O12^vii	75.59 (14)	O24^vii—Na3—O14	101.77 (11)
O23—Mg2—O12^vii	97.46 (13)	O24^xviii—Na3—O14	171.6 (2)
O23^vii—Mg2—O12^vii	169.17 (16)	O14ⁱⁱⁱ—Na3—O14	82.65 (18)
O12—Mg2—O12^vii	75.97 (18)	O24^vii—Na3—O11ⁱⁱⁱ	122.51 (19)
O52—Mg3—O82X^xxi	161.1 (2)	O24^xviii—Na3—O11ⁱⁱⁱ	71.46 (12)
O52—Mg3—O82X^xxii	161.1 (2)	O14ⁱⁱⁱ—Na3—O11ⁱⁱⁱ	60.14 (11)
O82X^xxi—Mg3—O82X^xxii	31.1 (4)	O14—Na3—O11ⁱⁱⁱ	116.87 (17)
O52—Mg3—O34ⁱ	100.35 (15)	O24^vii—Na3—O11	71.46 (12)
O82X^xxi—Mg3—O34ⁱ	74.8 (2)	O24^xviii—Na3—O11	122.51 (19)
O82X^xxii—Mg3—O34ⁱ	98.4 (2)	O14ⁱⁱⁱ—Na3—O11	116.87 (17)
O52—Mg3—O34ⁱⁱ	100.35 (15)	O14—Na3—O11	60.14 (11)
O82X^xxi—Mg3—O34ⁱⁱ	98.4 (2)	O11ⁱⁱⁱ—Na3—O11	91.98 (18)
O82X^xxii—Mg3—O34ⁱⁱ	74.8 (2)	O12^xv—Na4—O12^xxv	68.10 (16)
O34ⁱ—Mg3—O34ⁱⁱ	99.4 (2)	O12^xv—Na4—O62^xv	71.64 (14)
O52—Mg3—O12^xxiii	77.01 (14)	O12^xxv—Na4—O62^xv	71.64 (14)
O82X^xxi—Mg3—O12^xxiii	104.0 (2)	O12^xv—Na4—O31^xxv	146.90 (16)
O82X^xxii—Mg3—O12^xxiii	84.9 (2)	O12^xxv—Na4—O31^xxv	87.77 (11)
O34ⁱ—Mg3—O12^xxiii	168.63 (15)	O62^xv—Na4—O31^xxv	79.58 (13)
O34ⁱⁱ—Mg3—O12^xxiii	91.93 (13)	O12^xv—Na4—O31^xv	87.77 (11)
O52—Mg3—O12^xix	77.01 (14)	O12^xxv—Na4—O31^xv	146.90 (16)
O82X^xxi—Mg3—O12^xix	84.9 (2)	O62^xv—Na4—O31^xv	79.58 (13)
O82X^xxii—Mg3—O12^xix	104.0 (2)	O31^xxv—Na4—O31^xv	103.03 (19)
O34ⁱ—Mg3—O12^xix	91.93 (13)	O12^xv—Na4—O84X	101.0 (2)
O34ⁱⁱ—Mg3—O12^xix	168.63 (15)	O12^xxv—Na4—O84X	111.8 (2)
O12^xxiii—Mg3—O12^xix	76.70 (17)	O62^xv—Na4—O84X	170.47 (19)
O33^xxi—Mg4—O33^xxii	92.9 (2)	O31^xxv—Na4—O84X	109.1 (2)
O33^xxi—Mg4—O41^xxi	88.36 (17)	O31^xv—Na4—O84X	94.3 (2)
O33^xxii—Mg4—O41^xxi	173.5 (2)	O12^xv—Na4—O84X^vii	111.8 (2)
O33^xxi—Mg4—O41^xxii	173.5 (2)	O12^xxv—Na4—O84X^vii	101.0 (2)
O33^xxii—Mg4—O41^xxii	88.36 (17)	O62^xv—Na4—O84X^vii	170.47 (18)
O41^xxi—Mg4—O41^xxii	89.7 (3)	O31^xxv—Na4—O84X^vii	94.3 (2)
O33^xxi—Mg4—O72X	85.5 (6)	O31^xv—Na4—O84X^vii	109.1 (2)
O33^xxii—Mg4—O72X	93.5 (6)	O84X—Na4—O84X^vii	18.5 (4)
O41^xxi—Mg4—O72X	93.0 (6)	O11^xvi—Na5—O11^xxiii	97.14 (19)
O41^xxii—Mg4—O72X	100.8 (6)	O11^xvi—Na5—O31	159.2 (2)
O33^xxi—Mg4—O72Xⁱⁱⁱ	93.5 (6)	O11^xxiii—Na5—O31	76.89 (11)
O33^xxii—Mg4—O72Xⁱⁱⁱ	85.5 (6)	O11^xvi—Na5—O31^vii	76.89 (11)
O41^xxi—Mg4—O72Xⁱⁱⁱ	100.8 (6)	O11^xxiii—Na5—O31^vii	159.2 (2)
O41^xxii—Mg4—O72Xⁱⁱⁱ	93.0 (6)	O31—Na5—O31^vii	101.6 (2)
O72X—Mg4—O72Xⁱⁱⁱ	11.1 (15)	O11^xvi—Na5—O33ⁱⁱ	147.69 (19)
O33^xxi—Mg4—O84X^xix	102.3 (2)	O11^xxiii—Na5—O33ⁱⁱ	95.00 (11)
O33^xxii—Mg4—O84X^xix	87.6 (2)	O31—Na5—O33ⁱⁱ	53.08 (11)
O41^xxi—Mg4—O84X^xix	85.9 (3)	O31^vii—Na5—O33ⁱⁱ	100.52 (15)
O41^xxii—Mg4—O84X^xix	71.3 (3)	O11^xvi—Na5—O33^xxix	95.00 (11)
O72X—Mg4—O84X^xix	172.1 (5)	O11^xxiii—Na5—O33^xxix	147.69 (19)
O72Xⁱⁱⁱ—Mg4—O84X^xix	163.0 (7)	O31—Na5—O33^xxix	100.52 (15)
O33^xxi—Mg4—O84X^xxiii	87.6 (2)	O31^vii—Na5—O33^xxix	53.08 (11)
O33^xxii—Mg4—O84X^xxiii	102.3 (2)	O33ⁱⁱ—Na5—O33^xxix	60.72 (15)
O41^xxi—Mg4—O84X^xxiii	71.3 (3)	O11^xvi—Na5—O61	62.08 (13)
O41^xxii—Mg4—O84X^xxiii	85.9 (3)	O11^xxiii—Na5—O61	99.82 (18)
O72X—Mg4—O84X^xxiii	163.0 (7)	O31—Na5—O61	98.93 (17)
O72Xⁱⁱⁱ—Mg4—O84X^xxiii	172.1 (5)	O31^vii—Na5—O61	59.67 (13)
O84X^xix—Mg4—O84X^xxiii	20.3 (4)	O33ⁱⁱ—Na5—O61	144.13 (18)
O61^xxiv—Mg5—O11^vii	87.23 (15)	O33^xxix—Na5—O61	112.32 (12)
O61^xxiv—Mg5—O53^viii	81.09 (15)	O11^xvi—Na5—O61^vii	99.82 (18)
O11^vii—Mg5—O53^viii	105.84 (15)	O11^xxiii—Na5—O61^vii	62.08 (13)
O61^xxiv—Mg5—O42^ix	86.34 (19)	O31—Na5—O61^vii	59.67 (13)
O11^vii—Mg5—O42^ix	166.46 (18)	O31^vii—Na5—O61^vii	98.93 (17)
O53^viii—Mg5—O42^ix	84.92 (16)	O33ⁱⁱ—Na5—O61^vii	112.32 (12)
O61^xxiv—Mg5—O23	174.75 (16)	O33^xxix—Na5—O61^vii	144.13 (18)
O11^vii—Mg5—O23	87.55 (13)	O61—Na5—O61^vii	50.43 (16)
O53^viii—Mg5—O23	100.94 (14)	O11^xvi—Na5—O13^xxiii	102.48 (15)
O42^ix—Mg5—O23	98.63 (18)	O11^xxiii—Na5—O13^xxiii	53.73 (12)
O61^xxiv—Mg5—O24	111.86 (16)	O31—Na5—O13^xxiii	90.11 (11)
O11^vii—Mg5—O24	84.91 (13)	O31^vii—Na5—O13^xxiii	146.76 (19)
O53^viii—Mg5—O24	163.94 (15)	O33ⁱⁱ—Na5—O13^xxiii	62.13 (12)
O42^ix—Mg5—O24	86.44 (15)	O33^xxix—Na5—O13^xxiii	94.41 (16)
O23—Mg5—O24	67.04 (12)	O61—Na5—O13^xxiii	149.41 (17)
O74X—Mg6—O13^xxv	89.1 (2)	O61^vii—Na5—O13^xxiii	113.70 (11)
O74X—Mg6—O83X	56.3 (3)	O11^xvi—Na5—O13^xvi	53.73 (12)
O13^xxv—Mg6—O83X	92.0 (2)	O11^xxiii—Na5—O13^xvi	102.48 (15)
O74X—Mg6—O44^xxii	86.4 (2)	O31—Na5—O13^xvi	146.76 (19)
O13^xxv—Mg6—O44^xxii	174.7 (2)	O31^vii—Na5—O13^xvi	90.11 (11)
O83X—Mg6—O44^xxii	87.8 (2)	O33ⁱⁱ—Na5—O13^xvi	94.41 (16)
O74X—Mg6—O33^xxii	128.5 (3)	O33^xxix—Na5—O13^xvi	62.13 (12)
O13^xxv—Mg6—O33^xxii	91.79 (15)	O61—Na5—O13^xvi	113.70 (11)
O83X—Mg6—O33^xxii	173.9 (2)	O61^vii—Na5—O13^xvi	149.41 (17)
O44^xxii—Mg6—O33^xxii	88.92 (16)	O13^xxiii—Na5—O13^xvi	65.17 (14)
O74X—Mg6—O34^xxii	164.9 (3)	Na6^xxx—Na6—O53^vii	112.87 (15)
O13^xxv—Mg6—O34^xxii	88.80 (15)	Na6^xxx—Na6—O71^xi	82.19 (13)
O83X—Mg6—O34^xxii	108.8 (2)	O53^vii—Na6—O71^xi	149.5 (3)
O44^xxii—Mg6—O34^xxii	96.32 (17)	Na6^xxx—Na6—O42^xxxi	147.02 (18)
O33^xxii—Mg6—O34^xxii	66.49 (13)	O53^vii—Na6—O42^xxxi	67.95 (17)
O74X—Mg6—O82X	99.5 (3)	O71^xi—Na6—O42^xxxi	114.2 (2)
O13^xxv—Mg6—O82X	98.5 (2)	Na6^xxx—Na6—O53^xi	54.33 (13)
O83X—Mg6—O82X	43.6 (2)	O53^vii—Na6—O53^xi	58.54 (18)
O44^xxii—Mg6—O82X	85.0 (2)	O71^xi—Na6—O53^xi	129.4 (3)
O33^xxii—Mg6—O82X	131.0 (2)	O42^xxxi—Na6—O53^xi	116.5 (2)
O34^xxii—Mg6—O82X	66.03 (19)	Na6^xxx—Na6—O21	138.10 (16)
O74X—Mg6—O72Xⁱⁱⁱ	57.0 (3)	O53^vii—Na6—O21	66.58 (18)
O13^xxv—Mg6—O72Xⁱⁱⁱ	96.6 (4)	O71^xi—Na6—O21	84.4 (2)
O83X—Mg6—O72Xⁱⁱⁱ	112.4 (3)	O42^xxxi—Na6—O21	74.1 (2)
O44^xxii—Mg6—O72Xⁱⁱⁱ	78.6 (4)	O53^xi—Na6—O21	109.8 (2)
O33^xxii—Mg6—O72Xⁱⁱⁱ	71.9 (2)

Symmetry codes: (i) −x, y, z−1; (ii) x, y, z−1; (iii) −x, y, z; (iv) −x, −y+1, z−1/2; (v) x, −y+1, z−1/2; (vi) x−1/2, y−1/2, z; (vii) −x+1, y, z; (viii) x+1/2, y−1/2, z; (ix) −x+1, −y+1, z−1/2; (x) −x+1/2, −y+1/2, z−1/2; (xi) x+1, y, z; (xii) x, y, z+1; (xiii) −x+1/2, −y+3/2, z+1/2; (xiv) −x, −y+1, z+1/2; (xv) −x+1, −y+1, z+1/2; (xvi) x+1/2, y+1/2, z; (xvii) x−1/2, −y+3/2, z+1/2; (xviii) x−1, y, z; (xix) x−1/2, y+1/2, z; (xx) −x+3/2, y+1/2, z; (xxi) x−1/2, −y+3/2, z−1/2; (xxii) −x+1/2, −y+3/2, z−1/2; (xxiii) −x+1/2, y+1/2, z; (xxiv) −x+3/2, y−1/2, z; (xxv) x, −y+1, z+1/2; (xxvi) −x+1/2, y−1/2, z; (xxvii) −x+1/2, −y+1/2, z+1/2; (xxviii) x−1/2, −y+1/2, z+1/2; (xxix) −x+1, y, z−1; (xxx) −x+2, y, z; (xxxi) x+1/2, −y+3/2, z−1/2.

Experimental details

Crystal data
Chemical formula	Na₇Mg₁₃Nd(PO₄)₁₂
M_r	1760.84
Crystal system, space group	Orthorhombic, Cmc2₁
Temperature (K)	293
a, b, c (Å)	10.301 (3), 15.461 (4), 23.384 (6)
V (Å³)	3724.2 (17)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	2.38
Crystal size (mm)	0.40 × 0.22 × 0.17

Data collection
Diffractometer	Bruker–Nonius KappaCCD diffractometer
Absorption correction	Analytical (Alcock, 1970)
T_min, T_max	0.716, 0.878
No. of measured, independent and observed [I > 2σ(I)] reflections	44522, 11948, 8244
R_int	0.103
(sin θ/λ)_max (Å⁻¹)	0.904

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.057, 0.107, 1.05
No. of reflections	11948
No. of parameters	424
No. of restraints	1
	w = 1/[σ²(F_o²) + (0.0124P)² + 42.9558P] where P = (F_o² + 2F_c²)/3
Δρ_max, Δρ_min (e Å⁻³)	2.37, −2.23
Absolute structure	Flack (1983), 5847 Friedel pairs
Absolute structure parameter	0.257 (9)

Computer programs: COLLECT (Nonius, 1998), SCALEPACK (Otwinowski & Minor, 1997), SCALEPACK and DENZO (Otwinowski & Minor, 1997), SIR92 (Altomare et al., 1993), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 1998).

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