Sel mixte de lithium et de sodium eicosahydrate, Na5.22Li0.78[V10O28]·20H2O

Ksiksi, R.; Graia, M.; Jouini, T.

doi:10.1107/S160053680502060X

Sel mixte de lithium et de sodium eicosahydrate, Na_5.22Li_0.78[V₁₀O₂₈]·20H₂O

The structure of the title compound, sodium lithium decavanadate eicosahydrate, Na_5.22Li_0.78[V₁₀O₂₈]·20H₂O, is characterised by [V₁₀O₂₈]^6- polyanions which are linked by hydrogen bonds and Na⁺ ions. The centrosymmetric [V₁₀O₂₈]^6- polyanion consists of ten distorted VO₆ edge-sharing octahedra.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680502060X/dn6227sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S160053680502060X/dn6227Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (V-O) = 0.002 Å
Disorder in solvent or counterion
R factor = 0.029
wR factor = 0.071
Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      17.00 Perc.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  O10     ..       2.61 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H18    ..  O8#     ..       2.67 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         11
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       5.60 Deg.
              LI5  -O10  -NA3     1.545   1.555   1.545
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      14.70 Deg.
              LI5  -OW5  -NA3     2.445   1.555   2.445
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      22.60 Deg.
              LI5  -OW5  -NA4     2.445   1.555   2.445
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       8.00 Deg.
              NA3  -OW5  -NA4     2.445   1.555   2.445
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      15.50 Deg.
              NA3  -OW6  -NA4     1.545   1.555   1.545
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      15.80 Deg.
              NA3  -OW6  -LI5     1.545   1.555   1.545
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      31.10 Deg.
              NA4  -OW6  -LI5     1.545   1.555   1.545
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      16.60 Deg.
              NA3  -OW8  -LI5     3.565   1.555   3.565
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      15.30 Deg.
              NA3  -OW8  -NA4     3.565   1.555   3.565
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      31.70 Deg.
              LI5  -OW8  -NA4     3.565   1.555   3.565
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      13.50 Deg.
              NA4  -OW9  -NA3     2.545   1.555   2.545

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   H40 Li0.78 Na5.22 O48 V10
            Atom count from _chemical_formula_moiety:Li0.78 Na5.22

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  20 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

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

Computing details top

Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: MolEN (Fair, 1990); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1998) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

sodium lithium decavanadate eicosahydrate top

Crystal data top

Na_5.22Li_0.78[V₁₀O₂₈]·20H₂O	F(000) = 1427.5
M_r = 1443.14	D_x = 2.258 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 25 reflections
a = 12.524 (3) Å	θ = 2–27°
b = 13.027 (2) Å	µ = 2.28 mm⁻¹
c = 13.008 (4) Å	T = 298 K
β = 90.47 (2)°	Prism, orange
V = 2122.2 (9) Å³	0.58 × 0.58 × 0.14 mm
Z = 2

Data collection top

Enraf–Nonius CAD-4 diffractometer	3894 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.021
Graphite monochromator	θ_max = 27.0°, θ_min = 2.2°
ω/2θ scans	h = 0→15
Absorption correction: ψ scan (North et al., 1968)	k = 0→16
T_min = 0.290, T_max = 0.727	l = −16→16
4812 measured reflections	2 standard reflections every 120 min
4600 independent reflections	intensity decay: 2%

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.029	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.071	w = 1/[σ²(F_o²) + (0.0277P)² + 1.9469P] where P = (F_o² + 2F_c²)/3
S = 1.07	(Δ/σ)_max < 0.001
4600 reflections	Δρ_max = 0.31 e Å⁻³
377 parameters	Δρ_min = −0.39 e Å⁻³
30 restraints	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00071 (12)

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)
V1	0.42158 (4)	−0.15258 (3)	0.11976 (3)	0.02156 (11)
V2	0.24441 (4)	−0.09386 (3)	−0.04134 (3)	0.02134 (11)
V3	0.34029 (4)	0.12493 (3)	−0.06665 (3)	0.02080 (11)
V4	0.48281 (3)	−0.07326 (3)	−0.10242 (3)	0.01661 (10)
V5	0.27781 (4)	0.04097 (3)	0.14956 (3)	0.02403 (12)
Na1	−0.09394 (10)	0.97751 (9)	0.40411 (8)	0.0384 (3)
Na2	0.13868 (10)	0.49883 (9)	−0.02474 (8)	0.0367 (3)
Na3	−0.0247 (8)	0.8932 (9)	0.1668 (9)	0.094 (7)	0.39
Na4	0.0203 (13)	0.9012 (18)	0.1602 (15)	0.044 (3)	0.22
Li5	−0.073 (2)	0.895 (3)	0.1684 (18)	0.031 (5)	0.39
O1	0.04934 (17)	0.24791 (14)	0.31273 (15)	0.0350 (5)
O2	−0.14802 (16)	0.15588 (14)	0.09819 (14)	0.0306 (4)
O3	−0.18835 (17)	0.27526 (13)	0.36428 (14)	0.0325 (5)
O4	0.20654 (17)	0.08346 (16)	0.24300 (14)	0.0372 (5)
O5	0.16346 (15)	0.42218 (14)	0.29324 (12)	0.0261 (4)
O6	−0.36765 (15)	0.12961 (12)	0.14265 (12)	0.0228 (4)
O7	0.27039 (15)	0.15004 (13)	0.05364 (13)	0.0252 (4)
O8	0.42154 (15)	0.10633 (13)	0.18879 (12)	0.0242 (4)
O9	0.18295 (15)	−0.03462 (13)	0.07053 (12)	0.0243 (4)
O10	−0.24414 (15)	−0.03021 (13)	0.11475 (12)	0.0232 (4)
O11	0.19109 (15)	0.30391 (12)	0.46088 (13)	0.0240 (4)
O12	0.47894 (14)	0.17232 (12)	−0.00127 (12)	0.0199 (4)
O13	−0.04601 (14)	0.43836 (12)	0.34418 (11)	0.0195 (4)
O14	0.39605 (14)	−0.01129 (11)	0.02231 (11)	0.0173 (3)
OW1	−0.2487 (2)	0.06819 (16)	0.34070 (15)	0.0358 (5)
H1	−0.229 (3)	0.125 (2)	0.347 (3)	0.054*
H2	−0.284 (3)	0.058 (3)	0.291 (2)	0.054*
OW2	0.2069 (2)	0.09306 (15)	0.46539 (15)	0.0342 (5)
H3	0.205 (3)	0.081 (3)	0.404 (2)	0.051*
H4	0.214 (3)	0.151 (2)	0.471 (3)	0.051*
OW3	−0.0163 (3)	0.4075 (2)	−0.08858 (18)	0.0558 (7)
H5	−0.037 (3)	0.411 (3)	−0.146 (2)	0.067*
H6	−0.003 (4)	0.358 (3)	−0.063 (3)	0.084*
OW4	0.44029 (19)	0.38890 (16)	0.03191 (18)	0.0377 (5)
H7	0.386 (3)	0.388 (3)	0.060 (3)	0.057*
H8	0.457 (3)	0.333 (2)	0.016 (3)	0.057*
OW5	−0.3678 (2)	0.33742 (19)	0.2150 (2)	0.0597 (8)
H9	−0.380 (4)	0.280 (3)	0.201 (3)	0.090*
H10	−0.302 (3)	0.345 (4)	0.203 (4)	0.090*
OW6	−0.0168 (2)	0.0391 (2)	0.2444 (2)	0.0514 (6)
H11	−0.063 (3)	0.076 (3)	0.221 (3)	0.077*
H12	0.034 (3)	0.070 (3)	0.256 (3)	0.077*
OW7A	0.166 (3)	0.366 (3)	0.076 (2)	0.081 (11)	0.16
OW7B	0.2153 (4)	0.3674 (4)	0.0904 (4)	0.0390 (10)	0.84
H13	0.213 (4)	0.309 (2)	0.076 (3)	0.058*
H14	0.192 (3)	0.378 (3)	0.144 (2)	0.058*
OW8	0.0466 (2)	0.1736 (4)	−0.0232 (3)	0.0902 (12)
H15	0.101 (3)	0.163 (5)	0.009 (4)	0.135*
H16	−0.008 (3)	0.168 (5)	0.015 (4)	0.135*
OW9	0.3829 (3)	0.2984 (3)	0.2874 (3)	0.1007 (13)
H17	0.375 (5)	0.239 (3)	0.261 (5)	0.151*
H18	0.333 (5)	0.328 (4)	0.257 (5)	0.151*
OW10	−0.1075 (3)	0.37171 (18)	0.14504 (19)	0.0683 (10)
H19	−0.077 (4)	0.392 (4)	0.192 (3)	0.103*
H20	−0.117 (4)	0.313 (3)	0.139 (4)	0.103*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
V1	0.0225 (3)	0.0191 (2)	0.02305 (19)	−0.00247 (19)	0.00100 (18)	0.00619 (15)
V2	0.0200 (2)	0.0211 (2)	0.0229 (2)	−0.00341 (19)	−0.00110 (17)	−0.00186 (15)
V3	0.0206 (2)	0.01646 (19)	0.0253 (2)	0.00233 (18)	−0.00162 (18)	0.00252 (15)
V4	0.0192 (2)	0.01552 (18)	0.01508 (17)	−0.00011 (17)	0.00041 (16)	−0.00257 (13)
V5	0.0214 (3)	0.0289 (2)	0.0219 (2)	−0.0006 (2)	0.00551 (18)	−0.00574 (16)
Na1	0.0408 (8)	0.0377 (6)	0.0366 (6)	0.0040 (6)	−0.0003 (5)	0.0038 (5)
Na2	0.0358 (7)	0.0419 (6)	0.0324 (5)	−0.0031 (6)	−0.0014 (5)	−0.0018 (5)
Na3	0.161 (19)	0.047 (5)	0.073 (5)	0.020 (12)	0.044 (10)	−0.010 (4)
Na4	0.035 (5)	0.044 (5)	0.053 (6)	0.002 (4)	0.014 (5)	0.000 (4)
Li5	0.019 (9)	0.055 (12)	0.019 (7)	0.022 (8)	0.003 (6)	0.003 (7)
O1	0.0352 (12)	0.0285 (9)	0.0414 (10)	0.0026 (9)	−0.0032 (9)	−0.0171 (8)
O2	0.0279 (11)	0.0280 (9)	0.0357 (9)	−0.0063 (9)	−0.0052 (9)	−0.0034 (8)
O3	0.0329 (12)	0.0228 (9)	0.0419 (10)	−0.0041 (9)	−0.0085 (9)	−0.0079 (8)
O4	0.0299 (12)	0.0506 (12)	0.0312 (9)	0.0016 (11)	0.0087 (9)	−0.0124 (9)
O5	0.0255 (10)	0.0319 (9)	0.0209 (8)	0.0034 (9)	0.0039 (8)	−0.0037 (7)
O6	0.0241 (10)	0.0217 (8)	0.0225 (8)	−0.0011 (8)	−0.0015 (7)	−0.0043 (6)
O7	0.0228 (10)	0.0225 (8)	0.0303 (9)	0.0035 (8)	0.0024 (8)	−0.0040 (7)
O8	0.0252 (10)	0.0261 (9)	0.0212 (8)	0.0009 (8)	0.0021 (7)	−0.0071 (7)
O9	0.0197 (10)	0.0270 (9)	0.0264 (8)	−0.0008 (8)	0.0039 (8)	−0.0012 (7)
O10	0.0215 (10)	0.0220 (8)	0.0261 (8)	−0.0001 (8)	−0.0044 (8)	0.0000 (7)
O11	0.0236 (10)	0.0182 (8)	0.0300 (9)	0.0030 (8)	−0.0014 (8)	−0.0029 (7)
O12	0.0219 (10)	0.0142 (7)	0.0235 (8)	0.0011 (7)	−0.0006 (7)	−0.0015 (6)
O13	0.0233 (10)	0.0194 (8)	0.0158 (7)	0.0002 (8)	−0.0011 (7)	−0.0031 (6)
O14	0.0196 (9)	0.0152 (7)	0.0170 (7)	0.0001 (7)	0.0016 (7)	−0.0004 (6)
OW1	0.0466 (15)	0.0302 (10)	0.0305 (10)	−0.0080 (11)	−0.0085 (10)	0.0042 (8)
OW2	0.0501 (14)	0.0241 (9)	0.0285 (9)	0.0039 (10)	−0.0011 (10)	0.0011 (8)
OW3	0.0565 (18)	0.0734 (18)	0.0376 (12)	−0.0191 (16)	0.0048 (13)	−0.0139 (12)
OW4	0.0358 (14)	0.0264 (10)	0.0509 (13)	−0.0004 (10)	0.0038 (10)	−0.0068 (9)
OW5	0.0607 (19)	0.0311 (12)	0.0867 (19)	0.0030 (14)	−0.0370 (17)	−0.0084 (12)
OW6	0.0326 (14)	0.0581 (16)	0.0634 (15)	−0.0123 (12)	−0.0059 (13)	0.0192 (12)
OW7A	0.11 (3)	0.10 (2)	0.030 (11)	0.05 (2)	0.009 (17)	0.011 (11)
OW7B	0.057 (3)	0.0326 (16)	0.0275 (18)	0.0027 (19)	0.0065 (19)	−0.0017 (13)
OW8	0.0348 (17)	0.136 (3)	0.100 (3)	0.010 (2)	0.0187 (17)	0.039 (2)
OW9	0.086 (3)	0.077 (2)	0.139 (3)	0.020 (2)	0.010 (2)	−0.064 (2)
OW10	0.124 (3)	0.0354 (12)	0.0446 (13)	0.0017 (17)	−0.0364 (16)	−0.0016 (11)

Geometric parameters (Å, º) top

V1—O1ⁱ	1.6059 (18)	Na4—OW5^viii	2.651 (16)
V1—O5ⁱ	1.8393 (18)	Li5—OW5^viii	1.85 (3)
V1—O11ⁱ	1.8407 (19)	Li5—OW8^xi	2.12 (3)
V1—O12ⁱⁱ	2.0064 (18)	Li5—OW6^vii	2.23 (4)
V1—O13ⁱ	2.0100 (18)	Li5—O10^vii	2.45 (2)
V1—O14	2.2562 (15)	O1—V1^v	1.6059 (18)
V1—V3ⁱⁱ	3.0880 (10)	O2—V2ⁱⁱⁱ	1.6254 (19)
V2—O2ⁱⁱⁱ	1.6254 (19)	O3—V3^xiii	1.6189 (17)
V2—O9	1.8231 (17)	O5—V1^v	1.8393 (18)
V2—O11ⁱ	1.8729 (17)	O5—V5^v	1.8655 (19)
V2—O10ⁱⁱⁱ	1.8773 (17)	O6—V4ⁱⁱⁱ	1.6971 (19)
V2—O6ⁱⁱⁱ	2.0904 (18)	O6—V2ⁱⁱⁱ	2.0904 (19)
V2—O14	2.3288 (17)	O8—V4ⁱⁱ	1.7044 (18)
V2—V5	3.0674 (9)	O9—Na4^xiv	2.499 (15)
V2—V4	3.1075 (10)	O10—V3ⁱⁱⁱ	1.8307 (18)
V2—V3	3.1113 (7)	O10—V2ⁱⁱⁱ	1.8773 (17)
V3—O3^iv	1.6189 (17)	O10—Li5^xiv	2.45 (2)
V3—O7	1.8287 (18)	O10—Na3^xiv	2.996 (12)
V3—O10ⁱⁱⁱ	1.8307 (18)	O11—V1^v	1.8408 (19)
V3—O13^iv	2.0199 (18)	O11—V2^v	1.8729 (17)
V3—O12	2.0237 (18)	O12—V4ⁱⁱ	1.9245 (16)
V3—O14	2.2277 (16)	O12—V1ⁱⁱ	2.0064 (18)
V3—V1ⁱⁱ	3.0880 (10)	O13—V4^xiii	1.9228 (16)
V4—O6ⁱⁱⁱ	1.6971 (19)	O13—V1^v	2.0100 (18)
V4—O8ⁱⁱ	1.7044 (18)	O13—V3^xiii	2.0199 (18)
V4—O13^iv	1.9228 (16)	O14—V4ⁱⁱ	2.1390 (17)
V4—O12ⁱⁱ	1.9245 (16)	OW1—Na1^xiv	2.410 (3)
V4—O14	2.1200 (16)	OW1—Na2^xiii	2.420 (3)
V4—O14ⁱⁱ	2.1390 (17)	OW1—H1	0.78 (3)
V4—V5ⁱⁱ	3.0937 (10)	OW1—H2	0.79 (3)
V5—O4	1.6120 (19)	OW2—Na1^vi	2.402 (2)
V5—O9	1.8487 (18)	OW2—Na2ⁱ	2.412 (3)
V5—O5ⁱ	1.8655 (19)	OW2—H3	0.82 (3)
V5—O7	1.8926 (18)	OW2—H4	0.77 (3)
V5—O8	2.0521 (19)	OW3—Na2^xi	2.459 (3)
V5—O14	2.3315 (17)	OW3—H5	0.79 (3)
V5—V4ⁱⁱ	3.0937 (10)	OW3—H6	0.74 (3)
Na1—OW4^v	2.388 (3)	OW4—Na1ⁱ	2.388 (3)
Na1—OW2^vi	2.402 (2)	OW4—Na1^xii	2.442 (3)
Na1—OW1^vii	2.410 (3)	OW4—H7	0.78 (3)
Na1—OW6^vii	2.434 (3)	OW4—H8	0.78 (3)
Na1—OW5^viii	2.439 (3)	OW5—Li5^xv	1.85 (3)
Na1—OW4^ix	2.442 (3)	OW5—Na3^xv	2.177 (10)
Na1—Li5	3.26 (3)	OW5—Na1^xv	2.439 (3)
Na1—Na3	3.396 (11)	OW5—Na4^xv	2.651 (16)
Na1—Na1^x	3.465 (3)	OW5—H9	0.79 (3)
Na1—Na2^ix	3.4951 (19)	OW5—H10	0.85 (3)
Na1—Na4	3.63 (2)	OW6—Na3^xiv	2.155 (12)
Na2—OW7A	2.20 (3)	OW6—Na4^xiv	2.16 (2)
Na2—OW10^xi	2.331 (3)	OW6—Li5^xiv	2.23 (4)
Na2—OW2^v	2.412 (3)	OW6—Na1^xiv	2.434 (3)
Na2—OW3	2.418 (3)	OW6—H11	0.81 (3)
Na2—OW1^iv	2.420 (3)	OW6—H12	0.76 (3)
Na2—OW3^xi	2.459 (3)	OW7A—OW7B	0.65 (3)
Na2—OW7B	2.464 (5)	OW7A—H13	0.95 (5)
Na2—Na1^xii	3.4951 (19)	OW7A—H14	0.96 (5)
Na2—Na2^xi	3.538 (3)	OW7B—H13	0.78 (3)
Na2—H6	2.59 (5)	OW7B—H14	0.77 (3)
Na3—Na4	0.580 (19)	OW8—Na3^xi	2.077 (13)
Na3—Li5	0.61 (3)	OW8—Li5^xi	2.12 (3)
Na3—OW8^xi	2.077 (13)	OW8—Na4^xi	2.19 (2)
Na3—OW6^vii	2.155 (12)	OW8—H15	0.81 (4)
Na3—OW5^viii	2.177 (10)	OW8—H16	0.85 (4)
Na3—OW9^v	2.239 (13)	OW9—Na4ⁱ	1.93 (2)
Na3—O10^vii	2.996 (12)	OW9—Na3ⁱ	2.239 (13)
Na4—Li5	1.18 (4)	OW9—H17	0.85 (4)
Na4—OW9^v	1.93 (2)	OW9—H18	0.82 (4)
Na4—OW6^vii	2.16 (2)	OW10—Na2^xi	2.331 (3)
Na4—OW8^xi	2.19 (2)	OW10—H19	0.77 (3)
Na4—O9^vii	2.499 (15)	OW10—H20	0.78 (3)

O1ⁱ—V1—O5ⁱ	102.76 (9)	OW2^v—Na2—Na1^xii	43.32 (6)
O1ⁱ—V1—O11ⁱ	103.44 (9)	OW3—Na2—Na1^xii	136.11 (8)
O5ⁱ—V1—O11ⁱ	93.94 (8)	OW1^iv—Na2—Na1^xii	43.53 (6)
O1ⁱ—V1—O12ⁱⁱ	100.20 (9)	OW3^xi—Na2—Na1^xii	135.90 (8)
O5ⁱ—V1—O12ⁱⁱ	155.07 (7)	OW7B—Na2—Na1^xii	81.54 (12)
O11ⁱ—V1—O12ⁱⁱ	90.04 (8)	OW7A—Na2—Na2^xi	92.6 (9)
O1ⁱ—V1—O13ⁱ	100.15 (9)	OW10^xi—Na2—Na2^xi	87.52 (11)
O5ⁱ—V1—O13ⁱ	89.78 (8)	OW2^v—Na2—Na2^xi	136.31 (8)
O11ⁱ—V1—O13ⁱ	154.65 (7)	OW3—Na2—Na2^xi	43.95 (7)
O12ⁱⁱ—V1—O13ⁱ	76.68 (7)	OW1^iv—Na2—Na2^xi	135.53 (8)
O1ⁱ—V1—O14	175.02 (9)	OW3^xi—Na2—Na2^xi	43.04 (7)
O5ⁱ—V1—O14	80.42 (7)	OW7B—Na2—Na2^xi	105.88 (12)
O11ⁱ—V1—O14	80.02 (7)	Na1^xii—Na2—Na2^xi	172.57 (6)
O12ⁱⁱ—V1—O14	76.05 (6)	OW7A—Na2—H6	70.0 (12)
O13ⁱ—V1—O14	75.90 (6)	OW10^xi—Na2—H6	105.8 (7)
O1ⁱ—V1—V3ⁱⁱ	90.08 (8)	OW2^v—Na2—H6	164.9 (8)
O5ⁱ—V1—V3ⁱⁱ	129.87 (6)	OW3—Na2—H6	16.6 (7)
O11ⁱ—V1—V3ⁱⁱ	130.21 (6)	OW1^iv—Na2—H6	90.5 (11)
O12ⁱⁱ—V1—V3ⁱⁱ	40.19 (5)	OW3^xi—Na2—H6	92.1 (11)
O13ⁱ—V1—V3ⁱⁱ	40.10 (5)	OW7B—Na2—H6	83.5 (7)
O14—V1—V3ⁱⁱ	84.94 (5)	Na1^xii—Na2—H6	131.8 (11)
O2ⁱⁱⁱ—V2—O9	104.88 (9)	Na2^xi—Na2—H6	51.0 (10)
O2ⁱⁱⁱ—V2—O11ⁱ	102.48 (9)	Na4—Na3—Li5	166 (5)
O9—V2—O11ⁱ	92.18 (8)	Na4—Na3—OW8^xi	94 (3)
O2ⁱⁱⁱ—V2—O10ⁱⁱⁱ	101.43 (9)	Li5—Na3—OW8^xi	86 (3)
O9—V2—O10ⁱⁱⁱ	92.44 (8)	Na4—Na3—OW6^vii	83 (3)
O11ⁱ—V2—O10ⁱⁱⁱ	153.56 (8)	Li5—Na3—OW6^vii	90 (4)
O2ⁱⁱⁱ—V2—O6ⁱⁱⁱ	98.73 (9)	OW8^xi—Na3—OW6^vii	142.8 (7)
O9—V2—O6ⁱⁱⁱ	156.39 (8)	Na4—Na3—OW5^viii	141 (3)
O11ⁱ—V2—O6ⁱⁱⁱ	82.91 (8)	Li5—Na3—OW5^viii	50 (3)
O10ⁱⁱⁱ—V2—O6ⁱⁱⁱ	82.49 (7)	OW8^xi—Na3—OW5^viii	114.7 (5)
O2ⁱⁱⁱ—V2—O14	172.62 (8)	OW6^vii—Na3—OW5^viii	89.4 (4)
O9—V2—O14	82.48 (7)	Na4—Na3—OW9^v	51 (3)
O11ⁱ—V2—O14	77.47 (7)	Li5—Na3—OW9^v	143 (4)
O10ⁱⁱⁱ—V2—O14	77.36 (7)	OW8^xi—Na3—OW9^v	96.1 (5)
O6ⁱⁱⁱ—V2—O14	73.91 (6)	OW6^vii—Na3—OW9^v	109.2 (5)
O2ⁱⁱⁱ—V2—V5	138.48 (7)	OW5^viii—Na3—OW9^v	97.0 (5)
O9—V2—V5	33.61 (6)	Na4—Na3—O10^vii	143 (3)
O11ⁱ—V2—V5	84.23 (6)	Li5—Na3—O10^vii	23 (3)
O10ⁱⁱⁱ—V2—V5	85.32 (5)	OW8^xi—Na3—O10^vii	79.8 (4)
O6ⁱⁱⁱ—V2—V5	122.78 (5)	OW6^vii—Na3—O10^vii	81.4 (4)
O14—V2—V5	48.88 (4)	OW5^viii—Na3—O10^vii	72.5 (3)
O2ⁱⁱⁱ—V2—V4	129.65 (7)	OW9^v—Na3—O10^vii	165.4 (5)
O9—V2—V4	125.47 (6)	Na4—Na3—Na1	109 (3)
O11ⁱ—V2—V4	78.07 (6)	Li5—Na3—Na1	72 (3)
O10ⁱⁱⁱ—V2—V4	78.07 (6)	OW8^xi—Na3—Na1	157.0 (4)
O6ⁱⁱⁱ—V2—V4	30.91 (5)	OW6^vii—Na3—Na1	45.5 (2)
O14—V2—V4	43.00 (4)	OW5^viii—Na3—Na1	45.7 (2)
V5—V2—V4	91.87 (2)	OW9^v—Na3—Na1	98.3 (4)
O2ⁱⁱⁱ—V2—V3	133.87 (7)	O10^vii—Na3—Na1	81.8 (2)
O9—V2—V3	82.10 (6)	Na3—Na4—Li5	7 (3)
O11ⁱ—V2—V3	123.06 (6)	Na3—Na4—OW9^v	116 (3)
O10ⁱⁱⁱ—V2—V3	32.49 (5)	Li5—Na4—OW9^v	123 (3)
O6ⁱⁱⁱ—V2—V3	81.36 (5)	Na3—Na4—OW6^vii	82 (3)
O14—V2—V3	45.59 (4)	Li5—Na4—OW6^vii	78 (3)
V5—V2—V3	60.721 (18)	OW9^v—Na4—OW6^vii	122.4 (10)
V4—V2—V3	61.406 (14)	Na3—Na4—OW8^xi	71 (3)
O3^iv—V3—O7	103.05 (9)	Li5—Na4—OW8^xi	71 (2)
O3^iv—V3—O10ⁱⁱⁱ	102.10 (9)	OW9^v—Na4—OW8^xi	102.4 (11)
O7—V3—O10ⁱⁱⁱ	95.44 (8)	OW6^vii—Na4—OW8^xi	134.5 (10)
O3^iv—V3—O13^iv	99.39 (9)	Na3—Na4—O9^vii	158 (3)
O7—V3—O13^iv	155.37 (7)	Li5—Na4—O9^vii	152 (2)
O10ⁱⁱⁱ—V3—O13^iv	89.62 (8)	OW9^v—Na4—O9^vii	83.4 (6)
O3^iv—V3—O12	100.00 (9)	OW6^vii—Na4—O9^vii	98.0 (8)
O7—V3—O12	90.06 (8)	OW8^xi—Na4—O9^vii	94.4 (7)
O10ⁱⁱⁱ—V3—O12	155.35 (7)	Na3—Na4—OW5^viii	31 (3)
O13^iv—V3—O12	76.07 (7)	Li5—Na4—OW5^viii	37.0 (16)
O3^iv—V3—O14	174.32 (9)	OW9^v—Na4—OW5^viii	91.2 (7)
O7—V3—O14	81.27 (7)	OW6^vii—Na4—OW5^viii	77.9 (6)
O10ⁱⁱⁱ—V3—O14	80.98 (7)	OW8^xi—Na4—OW5^viii	94.9 (6)
O13^iv—V3—O14	75.74 (6)	O9^vii—Na4—OW5^viii	170.0 (8)
O12—V3—O14	76.14 (6)	Na3—Na4—Na1	62 (3)
O3^iv—V3—V1ⁱⁱ	89.55 (8)	Li5—Na4—Na1	62.7 (19)
O7—V3—V1ⁱⁱ	129.83 (6)	OW9^v—Na4—Na1	97.6 (7)
O10ⁱⁱⁱ—V3—V1ⁱⁱ	129.48 (6)	OW6^vii—Na4—Na1	40.5 (3)
O13^iv—V3—V1ⁱⁱ	39.86 (5)	OW8^xi—Na4—Na1	133.0 (6)
O12—V3—V1ⁱⁱ	39.78 (5)	O9^vii—Na4—Na1	130.1 (8)
O14—V3—V1ⁱⁱ	84.83 (5)	OW5^viii—Na4—Na1	42.2 (3)
O3^iv—V3—V2	135.28 (7)	Na3—Li5—Na4	7 (3)
O7—V3—V2	83.42 (6)	Na3—Li5—OW5^viii	115 (3)
O10ⁱⁱⁱ—V3—V2	33.43 (5)	Na4—Li5—OW5^viii	120 (2)
O13^iv—V3—V2	87.79 (5)	Na3—Li5—OW8^xi	78 (3)
O12—V3—V2	124.44 (5)	Na4—Li5—OW8^xi	78 (2)
O14—V3—V2	48.31 (4)	OW5^viii—Li5—OW8^xi	129 (2)
V1ⁱⁱ—V3—V2	120.318 (18)	Na3—Li5—OW6^vii	75 (4)
O6ⁱⁱⁱ—V4—O8ⁱⁱ	106.71 (8)	Na4—Li5—OW6^vii	71 (2)
O6ⁱⁱⁱ—V4—O13^iv	97.32 (8)	OW5^viii—Li5—OW6^vii	96.0 (12)
O8ⁱⁱ—V4—O13^iv	97.11 (8)	OW8^xi—Li5—OW6^vii	134.2 (17)
O6ⁱⁱⁱ—V4—O12ⁱⁱ	97.59 (8)	Na3—Li5—O10^vii	151 (4)
O8ⁱⁱ—V4—O12ⁱⁱ	96.91 (8)	Na4—Li5—O10^vii	144 (3)
O13^iv—V4—O12ⁱⁱ	155.64 (7)	OW5^viii—Li5—O10^vii	92.3 (11)
O6ⁱⁱⁱ—V4—O14	87.77 (8)	OW8^xi—Li5—O10^vii	93.3 (8)
O8ⁱⁱ—V4—O14	165.52 (8)	OW6^vii—Li5—O10^vii	93.6 (12)
O13^iv—V4—O14	80.36 (6)	Na3—Li5—Na1	98 (3)
O12ⁱⁱ—V4—O14	81.09 (7)	Na4—Li5—Na1	99 (2)
O6ⁱⁱⁱ—V4—O14ⁱⁱ	166.06 (7)	OW5^viii—Li5—Na1	47.8 (7)
O8ⁱⁱ—V4—O14ⁱⁱ	87.23 (8)	OW8^xi—Li5—Na1	172.6 (12)
O13^iv—V4—O14ⁱⁱ	80.54 (7)	OW6^vii—Li5—Na1	48.2 (5)
O12ⁱⁱ—V4—O14ⁱⁱ	80.34 (7)	O10^vii—Li5—Na1	93.4 (9)
O14—V4—O14ⁱⁱ	78.29 (7)	V1^v—O5—V5^v	114.97 (9)
O6ⁱⁱⁱ—V4—V5ⁱⁱ	145.10 (6)	V4ⁱⁱⁱ—O6—V2ⁱⁱⁱ	109.83 (8)
O8ⁱⁱ—V4—V5ⁱⁱ	38.40 (6)	V3—O7—V5	114.11 (9)
O13^iv—V4—V5ⁱⁱ	89.05 (6)	V4ⁱⁱ—O8—V5	110.55 (8)
O12ⁱⁱ—V4—V5ⁱⁱ	89.66 (6)	V2—O9—V5	113.31 (10)
O14—V4—V5ⁱⁱ	127.12 (5)	V2—O9—Na4^xiv	125.6 (5)
O14ⁱⁱ—V4—V5ⁱⁱ	48.84 (4)	V5—O9—Na4^xiv	116.2 (5)
O6ⁱⁱⁱ—V4—V2	39.26 (6)	V3ⁱⁱⁱ—O10—V2ⁱⁱⁱ	114.08 (9)
O8ⁱⁱ—V4—V2	145.97 (6)	V3ⁱⁱⁱ—O10—Li5^xiv	113.6 (9)
O13^iv—V4—V2	89.62 (6)	V2ⁱⁱⁱ—O10—Li5^xiv	119.1 (9)
O12ⁱⁱ—V4—V2	89.83 (6)	V3ⁱⁱⁱ—O10—Na3^xiv	116.9 (2)
O14—V4—V2	48.52 (5)	V2ⁱⁱⁱ—O10—Na3^xiv	113.5 (2)
O14ⁱⁱ—V4—V2	126.80 (5)	Li5^xiv—O10—Na3^xiv	5.6 (9)
V5ⁱⁱ—V4—V2	175.621 (17)	V1^v—O11—V2^v	115.12 (9)
O4—V5—O9	104.18 (10)	V4ⁱⁱ—O12—V1ⁱⁱ	107.45 (8)
O4—V5—O5ⁱ	101.72 (10)	V4ⁱⁱ—O12—V3	107.33 (8)
O9—V5—O5ⁱ	91.69 (8)	V1ⁱⁱ—O12—V3	100.03 (7)
O4—V5—O7	102.40 (10)	V4^xiii—O13—V1^v	108.15 (8)
O9—V5—O7	90.31 (8)	V4^xiii—O13—V3^xiii	107.26 (7)
O5ⁱ—V5—O7	154.51 (8)	V1^v—O13—V3^xiii	100.04 (7)
O4—V5—O8	99.21 (9)	V4—O14—V4ⁱⁱ	101.71 (7)
O9—V5—O8	156.60 (7)	V4—O14—V3	93.80 (6)
O5ⁱ—V5—O8	84.42 (8)	V4ⁱⁱ—O14—V3	93.50 (6)
O7—V5—O8	83.72 (8)	V4—O14—V1	92.76 (6)
O4—V5—O14	173.94 (9)	V4ⁱⁱ—O14—V1	92.85 (6)
O9—V5—O14	81.88 (7)	V3—O14—V1	169.77 (9)
O5ⁱ—V5—O14	77.90 (7)	V4—O14—V2	88.49 (6)
O7—V5—O14	77.25 (7)	V4ⁱⁱ—O14—V2	169.79 (8)
O8—V5—O14	74.74 (6)	V3—O14—V2	86.10 (6)
O4—V5—V2	137.26 (8)	V1—O14—V2	86.23 (6)
O9—V5—V2	33.08 (5)	V4—O14—V5	170.77 (8)
O5ⁱ—V5—V2	84.18 (6)	V4ⁱⁱ—O14—V5	87.47 (6)
O7—V5—V2	83.72 (6)	V3—O14—V5	86.45 (6)
O8—V5—V2	123.54 (5)	V1—O14—V5	85.83 (5)
O14—V5—V2	48.80 (4)	V2—O14—V5	82.32 (6)
O4—V5—V4ⁱⁱ	130.26 (8)	Na1^xiv—OW1—Na2^xiii	92.72 (8)
O9—V5—V4ⁱⁱ	125.56 (6)	Na1^xiv—OW1—H1	100 (3)
O5ⁱ—V5—V4ⁱⁱ	79.18 (6)	Na2^xiii—OW1—H1	117 (3)
O7—V5—V4ⁱⁱ	79.03 (6)	Na1^xiv—OW1—H2	130 (3)
O8—V5—V4ⁱⁱ	31.05 (5)	Na2^xiii—OW1—H2	102 (3)
O14—V5—V4ⁱⁱ	43.69 (4)	H1—OW1—H2	114 (3)
V2—V5—V4ⁱⁱ	92.49 (2)	Na1^vi—OW2—Na2ⁱ	93.12 (8)
OW4^v—Na1—OW2^vi	92.66 (9)	Na1^vi—OW2—H3	127 (3)
OW4^v—Na1—OW1^vii	179.47 (10)	Na2ⁱ—OW2—H3	104 (3)
OW2^vi—Na1—OW1^vii	87.29 (9)	Na1^vi—OW2—H4	112 (3)
OW4^v—Na1—OW6^vii	97.62 (10)	Na2ⁱ—OW2—H4	112 (3)
OW2^vi—Na1—OW6^vii	165.83 (10)	H3—OW2—H4	107 (3)
OW1^vii—Na1—OW6^vii	82.52 (9)	Na2—OW3—Na2^xi	93.01 (9)
OW4^v—Na1—OW5^viii	90.77 (9)	Na2—OW3—H5	123 (3)
OW2^vi—Na1—OW5^viii	92.79 (10)	Na2^xi—OW3—H5	110 (3)
OW1^vii—Na1—OW5^viii	89.77 (9)	Na2—OW3—H6	95 (4)
OW6^vii—Na1—OW5^viii	77.39 (10)	Na2^xi—OW3—H6	107 (4)
OW4^v—Na1—OW4^ix	88.33 (8)	H5—OW3—H6	123 (4)
OW2^vi—Na1—OW4^ix	83.85 (8)	Na1ⁱ—OW4—Na1^xii	91.67 (8)
OW1^vii—Na1—OW4^ix	91.14 (8)	Na1ⁱ—OW4—H7	123 (3)
OW6^vii—Na1—OW4^ix	106.10 (9)	Na1^xii—OW4—H7	100 (3)
OW5^viii—Na1—OW4^ix	176.47 (10)	Na1ⁱ—OW4—H8	109 (3)
OW4^v—Na1—Li5	95.6 (4)	Na1^xii—OW4—H8	121 (3)
OW2^vi—Na1—Li5	126.2 (7)	H7—OW4—H8	110 (4)
OW1^vii—Na1—Li5	84.9 (4)	Li5^xv—OW5—Na3^xv	14.7 (7)
OW6^vii—Na1—Li5	43.2 (7)	Li5^xv—OW5—Na1^xv	98.1 (11)
OW5^viii—Na1—Li5	34.2 (7)	Na3^xv—OW5—Na1^xv	94.6 (3)
OW4^ix—Na1—Li5	149.3 (7)	Li5^xv—OW5—Na4^xv	22.6 (10)
OW4^v—Na1—Na3	87.1 (2)	Na3^xv—OW5—Na4^xv	8.0 (7)
OW2^vi—Na1—Na3	132.5 (2)	Na1^xv—OW5—Na4^xv	90.9 (5)
OW1^vii—Na1—Na3	93.3 (2)	Li5^xv—OW5—H9	120 (3)
OW6^vii—Na1—Na3	39.2 (2)	Na3^xv—OW5—H9	112 (3)
OW5^viii—Na1—Na3	39.7 (2)	Na1^xv—OW5—H9	122 (3)
OW4^ix—Na1—Na3	143.6 (2)	Na4^xv—OW5—H9	108 (3)
Li5—Na1—Na3	10.2 (5)	Li5^xv—OW5—H10	120 (3)
OW4^v—Na1—Na1^x	44.79 (6)	Na3^xv—OW5—H10	134 (3)
OW2^vi—Na1—Na1^x	87.50 (7)	Na1^xv—OW5—H10	89 (3)
OW1^vii—Na1—Na1^x	134.68 (8)	Na4^xv—OW5—H10	141 (3)
OW6^vii—Na1—Na1^x	106.67 (9)	H9—OW5—H10	105 (4)
OW5^viii—Na1—Na1^x	135.45 (9)	Na3^xiv—OW6—Na4^xiv	15.5 (5)
OW4^ix—Na1—Na1^x	43.54 (6)	Na3^xiv—OW6—Li5^xiv	15.8 (6)
Li5—Na1—Na1^x	132.3 (5)	Na4^xiv—OW6—Li5^xiv	31.1 (10)
Na3—Na1—Na1^x	122.1 (2)	Na3^xiv—OW6—Na1^xiv	95.3 (3)
OW4^v—Na1—Na2^ix	136.18 (7)	Na4^xiv—OW6—Na1^xiv	104.4 (5)
OW2^vi—Na1—Na2^ix	43.56 (6)	Li5^xiv—OW6—Na1^xiv	88.5 (7)
OW1^vii—Na1—Na2^ix	43.76 (6)	Na3^xiv—OW6—H11	108 (3)
OW6^vii—Na1—Na2^ix	125.78 (8)	Na4^xiv—OW6—H11	117 (3)
OW5^viii—Na1—Na2^ix	92.89 (9)	Li5^xiv—OW6—H11	96 (3)
OW4^ix—Na1—Na2^ix	85.42 (7)	Na1^xiv—OW6—H11	103 (3)
Li5—Na1—Na2^ix	111.2 (5)	Na3^xiv—OW6—H12	126 (3)
Na3—Na1—Na2^ix	121.4 (2)	Na4^xiv—OW6—H12	111 (3)
Na1^x—Na1—Na2^ix	116.16 (5)	Li5^xiv—OW6—H12	142 (4)
OW4^v—Na1—Na4	81.4 (3)	Na1^xiv—OW6—H12	110 (3)
OW2^vi—Na1—Na4	138.7 (3)	H11—OW6—H12	111 (4)
OW1^vii—Na1—Na4	99.0 (3)	OW7B—OW7A—Na2	107 (4)
OW6^vii—Na1—Na4	35.1 (4)	OW7B—OW7A—H13	55 (3)
OW5^viii—Na1—Na4	46.9 (3)	Na2—OW7A—H13	136 (4)
OW4^ix—Na1—Na4	136.2 (3)	OW7B—OW7A—H14	53 (3)
Li5—Na1—Na4	18.7 (7)	Na2—OW7A—H14	118 (4)
Na3—Na1—Na4	8.7 (4)	H13—OW7A—H14	85 (4)
Na1^x—Na1—Na4	113.9 (3)	OW7A—OW7B—Na2	59 (4)
Na2^ix—Na1—Na4	129.9 (3)	OW7A—OW7B—H13	82 (4)
OW7A—Na2—OW10^xi	174.1 (9)	Na2—OW7B—H13	121 (3)
OW7A—Na2—OW2^v	95.3 (10)	OW7A—OW7B—H14	84 (4)
OW10^xi—Na2—OW2^v	88.62 (10)	Na2—OW7B—H14	106 (3)
OW7A—Na2—OW3	86.3 (10)	H13—OW7B—H14	112 (4)
OW10^xi—Na2—OW3	89.76 (11)	Na3^xi—OW8—Li5^xi	16.6 (7)
OW2^v—Na2—OW3	178.34 (9)	Na3^xi—OW8—Na4^xi	15.3 (5)
OW7A—Na2—OW1^iv	93.3 (9)	Li5^xi—OW8—Na4^xi	31.7 (11)
OW10^xi—Na2—OW1^iv	82.57 (10)	Na3^xi—OW8—H15	120 (4)
OW2^v—Na2—OW1^iv	86.83 (9)	Li5^xi—OW8—H15	105 (4)
OW3—Na2—OW1^iv	92.59 (9)	Na4^xi—OW8—H15	131 (5)
OW7A—Na2—OW3^xi	97.5 (9)	Na3^xi—OW8—H16	113 (4)
OW10^xi—Na2—OW3^xi	86.67 (12)	Li5^xi—OW8—H16	128 (4)
OW2^v—Na2—OW3^xi	93.30 (9)	Na4^xi—OW8—H16	98 (4)
OW3—Na2—OW3^xi	86.99 (9)	H15—OW8—H16	111 (5)
OW1^iv—Na2—OW3^xi	169.23 (10)	Na4ⁱ—OW9—Na3ⁱ	13.5 (6)
OW7A—Na2—OW7B	14.6 (9)	Na4ⁱ—OW9—H17	148 (4)
OW10^xi—Na2—OW7B	166.59 (16)	Na3ⁱ—OW9—H17	134 (4)
OW2^v—Na2—OW7B	81.46 (12)	Na4ⁱ—OW9—H18	108 (5)
OW3—Na2—OW7B	100.07 (13)	Na3ⁱ—OW9—H18	117 (5)
OW1^iv—Na2—OW7B	87.86 (14)	H17—OW9—H18	98 (5)
OW3^xi—Na2—OW7B	102.81 (14)	Na2^xi—OW10—H19	111 (4)
OW7A—Na2—Na1^xii	94.8 (9)	Na2^xi—OW10—H20	129 (4)
OW10^xi—Na2—Na1^xii	85.06 (11)	H19—OW10—H20	120 (5)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
OW1—H1···O3	0.78 (3)	2.04 (3)	2.818 (3)	176 (4)
OW1—H2···O6	0.79 (3)	2.37 (3)	3.071 (3)	147 (3)
OW1—H2···O10	0.79 (3)	2.61 (3)	3.207 (3)	133 (3)
OW2—H3···O4	0.82 (3)	2.09 (3)	2.896 (3)	168 (3)
OW2—H4···O11	0.77 (3)	2.01 (3)	2.754 (3)	163 (4)
OW3—H5···O8^xvi	0.79 (3)	2.22 (3)	2.998 (3)	170 (4)
OW3—H6···OW8	0.74 (3)	2.54 (3)	3.258 (5)	165 (5)
OW4—H7···OW7B	0.78 (3)	2.19 (3)	2.938 (5)	161 (4)
OW4—H8···O12	0.78 (3)	2.13 (3)	2.896 (3)	167 (4)
OW5—H9···O6	0.79 (3)	2.10 (4)	2.866 (3)	163 (4)
OW5—H10···OW10	0.85 (3)	2.58 (3)	3.420 (5)	173 (4)
OW6—H11···O2	0.81 (3)	2.17 (3)	2.930 (3)	155 (4)
OW6—H12···O4	0.76 (3)	2.18 (3)	2.857 (3)	149 (4)
OW6—H12···O1	0.76 (3)	2.44 (4)	2.977 (3)	128 (4)
OW7B—H13···O7	0.78 (3)	2.21 (3)	2.955 (5)	159 (5)
OW7B—H14···O5	0.77 (3)	2.06 (3)	2.814 (5)	167 (4)
OW8—H15···O7	0.81 (4)	2.20 (4)	2.984 (4)	163 (5)
OW8—H16···O2	0.85 (4)	2.07 (4)	2.924 (4)	175 (5)
OW9—H17···O8	0.85 (4)	2.05 (4)	2.855 (3)	156 (6)
OW9—H18···O5	0.82 (4)	2.50 (5)	3.187 (4)	141 (6)
OW9—H18···OW7B	0.82 (4)	2.67 (5)	3.419 (6)	152 (6)
OW10—H19···O13	0.77 (3)	2.11 (4)	2.833 (3)	159 (5)
OW10—H20···O2	0.78 (3)	2.15 (3)	2.920 (3)	171 (5)

Symmetry code: (xvi) x−1/2, −y+1/2, z−1/2.

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