Dipotassium tetra­sodium deca­vanadate octa­deca­hydrate

The title double salt, K₂Na₄[V₁₀O₂₈]·18H₂O, crystallizes with a deca­vanadate polyanion that has twofold crystallographic symmetry. All atoms in the structure are on general positions, except two Na atoms which are located on a twofold axis. In the crystal structure, chains made up of edge- and face-sharing [KO₉] and [NaO₆] polyhedra are inter­connected by the deca­vanadate anions to form a three-dimensional network. The deca­vanadate polyanion exhibits the typical ranges in V...V and the four types of V—O distances.

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](V-O) = 0.003 Å
• H-atom completeness 89%
• R factor = 0.045
• wR factor = 0.124
• Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        OW9

Author Response: Explained in _publ_section_exptl_refinement

Alert level C
PLAT030_ALERT_1_C _diffrn_reflns_number .LE.  _reflns_number_total          ?
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?

Author Response: Because H atoms of H2O(Ow9) were not included.

PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

Author Response: Because H atoms of H2O(Ow9) were not included.

PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.68 mm

Author Response: Used beam size is 0.8 mm.

PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?

Author Response: Because H atoms of H2O(Ow9) were not included.

PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         39

Author Response: Explained in the comment.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:H36 K2 Na4 O46 V10
            Atom count from the _atom_site data:  H32 K2 Na4 O46 V10
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.192     0.234
            Tmin and Tmax expected:      0.188     0.254
            RR =      1.106
            Please check that your absorption correction is appropriate.
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    4
           From the CIF: _chemical_formula_sum  H36 K2 Na4 O46 V10
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           H        144.00    128.00   16.00
           K          8.00      8.00    0.00
           Na        16.00     16.00    0.00
           O        184.00    184.00    0.00
           V         40.00     40.00    0.00

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

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

---

Computing details

Data collection: STADI4 (Stoe & Cie, 1996); cell refinement: STADI4; data reduction: X-RED (Stoe & Cie, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXL97.

Dipotassium tetrasodium decavanadate octadecahydrate

Crystal data

Na4K2[V10O28]·18H2O	F(000) = 2864
Mr = 1451.85	Dx = 2.391 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: -C 2yc	Cell parameters from 28 reflections
a = 17.738 (2) Å	θ = 9.5–10.5°
b = 12.636 (1) Å	µ = 2.59 mm^−1
c = 20.042 (5) Å	T = 298 K
β = 116.114 (9)°	Hexagonal prism, pale brown
V = 4033.6 (11) Å^3	0.68 × 0.62 × 0.53 mm
Z = 4

Data collection

Stoe STADI-4 diffractometer	3143 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 27.5°, θmin = 2.1°
ω/2θ scans	h = −22→20
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1996)	k = 0→16
Tmin = 0.192, Tmax = 0.234	l = 0→26
4595 measured reflections	3 standard reflections every 60 min
4595 independent reflections	intensity decay: 3.8%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.046	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.124	w = 1/[σ^2(Fo^2) + (0.0413P)^2 + 29.2336P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max < 0.001
4595 reflections	Δρmax = 0.62 e Å^−3
288 parameters	Δρmin = −0.55 e Å^−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00091 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
V1	0.52690 (4)	0.49792 (6)	0.43100 (4)	0.01568 (16)
V2	0.52442 (5)	0.25460 (6)	0.43701 (4)	0.0210 (2)
V3	0.47614 (5)	0.25820 (6)	0.56753 (4)	0.01915 (19)
V4	0.36507 (5)	0.37808 (6)	0.42046 (4)	0.01821 (19)
V5	0.63575 (5)	0.37977 (6)	0.58140 (4)	0.01875 (19)
OH1	0.50019 (19)	0.3941 (2)	0.50115 (17)	0.0167 (5)
OC2	0.40401 (16)	0.4975 (2)	0.38011 (15)	0.0176 (5)
OC3	0.63349 (16)	0.4990 (2)	0.51421 (15)	0.0168 (5)
OB4	0.5399 (2)	0.3887 (2)	0.38830 (17)	0.0214 (7)
OB5	0.5012 (2)	0.1772 (2)	0.50346 (18)	0.0213 (6)
OB6	0.40890 (19)	0.2831 (2)	0.37966 (16)	0.0219 (7)
OB7	0.36882 (18)	0.2869 (2)	0.49485 (16)	0.0203 (6)
OB8	0.63195 (18)	0.2859 (2)	0.50994 (17)	0.0217 (7)
OB9	0.59210 (18)	0.2880 (2)	0.62502 (16)	0.0205 (6)
OB10	0.53889 (18)	0.6047 (2)	0.38505 (16)	0.0183 (6)
OT11	0.5431 (2)	0.1650 (3)	0.3894 (2)	0.0304 (8)
OT12	0.4576 (2)	0.1712 (3)	0.61737 (18)	0.0261 (7)
OT13	0.2662 (2)	0.3767 (3)	0.36515 (18)	0.0275 (8)
OT14	0.73496 (19)	0.3799 (3)	0.63701 (19)	0.0271 (8)
K	0.82755 (7)	0.50071 (11)	0.57208 (7)	0.0404 (3)
Na1	0.75089 (12)	0.50114 (17)	0.36301 (11)	0.0336 (4)
Na2	0.5000	0.5828 (2)	0.2500	0.0334 (7)
Na3	0.5000	0.8605 (2)	0.2500	0.0322 (6)
OW1	0.9083 (3)	0.5009 (4)	0.7401 (3)	0.0613 (13)
HW1A	0.8692	0.5186	0.7604	0.092*
HW1B	0.9372	0.4353	0.7615	0.092*
OW2	0.7333 (3)	0.6411 (4)	0.4346 (3)	0.0479 (12)
HW2A	0.704 (5)	0.654 (6)	0.452 (4)	0.057*
HW2B	0.770 (4)	0.684 (6)	0.458 (4)	0.057*
OW3	0.8900 (2)	0.5030 (3)	0.4615 (2)	0.0370 (8)
HW3A	0.9210	0.5667	0.4626	0.055*
HW3B	0.9223	0.4405	0.4626	0.055*
OW4	0.7399 (3)	0.3681 (3)	0.4438 (2)	0.0446 (10)
HW4A	0.7698	0.3034	0.4447	0.067*
HW4B	0.6825	0.3528	0.4343	0.067*
OW5	0.8017 (3)	0.3840 (3)	0.2977 (2)	0.0508 (12)
HW5A	0.7564	0.3659	0.2505	0.076*
HW5B	0.8234	0.3209	0.3267	0.076*
OW6	0.7732 (3)	0.6435 (3)	0.2930 (2)	0.0464 (10)
HW6A	0.8165	0.6244	0.2799	0.070*
HW6B	0.7884	0.7068	0.3230	0.070*
OW7	0.6128 (2)	0.4687 (3)	0.2662 (2)	0.0379 (9)
HW7A	0.6171	0.4676	0.2196	0.057*
HW7B	0.5968	0.3979	0.2738	0.057*
OW8	0.3997 (2)	0.7224 (3)	0.2272 (2)	0.0358 (8)
HW8A	0.3556	0.7225	0.1767	0.043*
HW8B	0.3756	0.7225	0.2623	0.043*
OW9	0.5924 (4)	0.2424 (4)	0.2711 (3)	0.0745 (16)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
V1	0.0139 (3)	0.0177 (3)	0.0163 (3)	−0.0001 (3)	0.0075 (2)	0.0010 (3)
V2	0.0227 (4)	0.0186 (4)	0.0246 (4)	0.0017 (3)	0.0131 (3)	−0.0002 (3)
V3	0.0196 (4)	0.0183 (4)	0.0215 (4)	−0.0005 (3)	0.0108 (3)	0.0022 (3)
V4	0.0131 (4)	0.0196 (4)	0.0197 (4)	−0.0014 (3)	0.0052 (3)	−0.0007 (3)
V5	0.0127 (4)	0.0200 (4)	0.0218 (4)	0.0015 (3)	0.0060 (3)	0.0039 (3)
OH1	0.0124 (12)	0.0190 (13)	0.0191 (13)	−0.0017 (14)	0.0073 (10)	−0.0002 (13)
OC2	0.0152 (12)	0.0212 (14)	0.0155 (13)	−0.0001 (14)	0.0058 (11)	0.0006 (13)
OC3	0.0139 (12)	0.0180 (13)	0.0193 (13)	−0.0005 (14)	0.0081 (11)	−0.0008 (13)
OB4	0.0233 (17)	0.0241 (17)	0.0196 (16)	−0.0001 (13)	0.0119 (14)	−0.0020 (13)
OB5	0.0222 (14)	0.0183 (14)	0.0243 (14)	−0.0002 (14)	0.0110 (12)	0.0003 (14)
OB6	0.0214 (16)	0.0228 (16)	0.0194 (15)	−0.0025 (14)	0.0070 (13)	−0.0017 (13)
OB7	0.0179 (16)	0.0196 (16)	0.0235 (16)	−0.0045 (13)	0.0093 (13)	−0.0011 (12)
OB8	0.0169 (16)	0.0223 (16)	0.0278 (17)	0.0029 (13)	0.0118 (13)	0.0017 (13)
OB9	0.0160 (15)	0.0231 (16)	0.0222 (15)	0.0047 (13)	0.0083 (13)	0.0055 (13)
OB10	0.0177 (15)	0.0206 (16)	0.0178 (15)	0.0008 (13)	0.0089 (13)	0.0006 (12)
OT11	0.039 (2)	0.0241 (18)	0.0348 (19)	0.0054 (16)	0.0219 (17)	−0.0028 (15)
OT12	0.0331 (19)	0.0233 (17)	0.0266 (17)	−0.0021 (15)	0.0175 (15)	0.0035 (14)
OT13	0.0175 (17)	0.0317 (19)	0.0274 (18)	−0.0024 (14)	0.0045 (15)	−0.0018 (14)
OT14	0.0142 (17)	0.0307 (19)	0.0304 (19)	0.0008 (13)	0.0043 (14)	0.0050 (14)
K	0.0364 (6)	0.0425 (6)	0.0479 (7)	−0.0003 (6)	0.0236 (5)	−0.0033 (6)
Na1	0.0271 (9)	0.0364 (10)	0.0318 (10)	0.0042 (10)	0.0080 (8)	−0.0028 (10)
Na2	0.0318 (15)	0.0399 (17)	0.0298 (15)	0.000	0.0146 (13)	0.000
Na3	0.0336 (16)	0.0290 (15)	0.0295 (15)	0.000	0.0097 (13)	0.000
OW1	0.046 (2)	0.043 (2)	0.104 (4)	−0.007 (2)	0.041 (3)	−0.003 (3)
OW2	0.038 (2)	0.050 (3)	0.073 (3)	−0.020 (2)	0.040 (2)	−0.031 (2)
OW3	0.0228 (16)	0.0281 (18)	0.054 (2)	−0.0009 (17)	0.0109 (16)	−0.0027 (18)
OW4	0.037 (2)	0.040 (2)	0.072 (3)	0.0106 (18)	0.038 (2)	0.013 (2)
OW5	0.060 (3)	0.048 (3)	0.037 (2)	0.028 (2)	0.014 (2)	0.0032 (19)
OW6	0.050 (3)	0.050 (2)	0.042 (2)	−0.011 (2)	0.022 (2)	−0.0115 (19)
OW7	0.0299 (19)	0.047 (2)	0.0287 (18)	−0.0005 (16)	0.0057 (16)	−0.0003 (16)
OW8	0.0271 (18)	0.041 (2)	0.038 (2)	−0.0006 (17)	0.0130 (16)	0.0000 (17)
OW9	0.099 (4)	0.065 (3)	0.067 (3)	0.012 (3)	0.042 (3)	0.012 (3)

Geometric parameters (Å, º)

V1—V2	3.078 (1)	K—OT11^ii	2.947 (4)
V1—V3^i	3.083 (1)	K—OT12^iii	2.990 (4)
V1—V4	3.169 (1)	K—OW1	3.028 (6)
V1—V5	3.150 (1)	K—OW2	3.079 (6)
V2—V3	3.090 (1)	K—OT14	2.933 (4)
V2—V4	3.116 (1)	K—OC3	3.111 (3)
V2—V5	3.122 (1)	Na1—OW3	2.387 (4)
V3—V4	3.123 (1)	Na1—OW2	2.383 (6)
V3—V5	3.124 (1)	Na1—OW7	2.399 (4)
V4—V5^i	3.060 (1)	Na1—OW4	2.399 (4)
V1—OH1	2.123 (3)	Na1—OW5	2.400 (4)
V1—OH1^i	2.125 (3)	Na1—OW6	2.419 (5)
V1—OC2	1.958 (3)	Na2—OW7^iv	2.370 (4)
V1—OC3	1.892 (3)	Na2—OW7	2.370 (4)
V1—OB4	1.692 (3)	Na2—OW8^iv	2.402 (4)
V1—OB10	1.699 (3)	Na2—OW8	2.402 (4)
V2—OH1	2.331 (3)	Na2—OB10	2.497 (3)
V2—OB4	2.034 (3)	Na2—OB10^iv	2.497 (3)
V2—OB5	1.839 (3)	Na3—OW1^v	2.338 (5)
V2—OB6	1.891 (3)	Na3—OW1^vi	2.338 (5)
V2—OB8	1.865 (3)	Na3—OW8	2.389 (4)
V2—OT11	1.607 (3)	Na3—OW8^iv	2.389 (4)
V3—OH1	2.324 (3)	Na3—OT12^vii	2.456 (3)
V3—OB5	1.843 (3)	Na3—OT12^i	2.456 (3)
V3—OB7	1.853 (3)	OW1—HW1A	0.9700
V3—OB9	1.901 (3)	OW1—HW1B	0.9700
V3—OB10^i	2.049 (3)	OW2—HW2A	0.77 (7)
V3—OT12	1.614 (3)	OW2—HW2B	0.82 (7)
V4—OH1	2.233 (3)	OW3—HW3A	0.9700
V4—OC2	1.975 (3)	OW3—HW3B	0.9700
V4—OC3^i	2.025 (3)	OW4—HW4A	0.9700
V4—OB6	1.809 (3)	OW4—HW4B	0.9700
V4—OB7	1.862 (3)	OW5—HW5A	0.9600
V4—OT13	1.610 (3)	OW5—HW5B	0.9600
V5—OH1	2.236 (3)	OW6—HW6A	0.9500
V5—OC2^i	1.994 (3)	OW6—HW6B	0.9700
V5—OC3	2.009 (3)	OW7—HW7A	0.9700
V5—OB8	1.839 (3)	OW7—HW7B	0.9700
V5—OB9	1.818 (3)	OW8—HW8A	0.9700
V5—OT14	1.617 (3)	OW8—HW8B	0.9700
K—OW3	2.882 (4)	OW9—OB6^iv	3.055 (6)
K—OW4	2.885 (5)	OW9—OT14^ii	3.193 (6)
K—OT13^i	2.931 (4)	OW9—OT11^iv	3.205 (7)
V2—V1—V5	60.16 (3)	OC2^i—V5—OH1	76.33 (11)
V3^i—V1—V5	118.07 (3)	OC3—V5—OH1	76.06 (11)
V1—V2—V3	91.87 (3)	OW3—K—OW4	63.80 (11)
V1—V2—V4	61.55 (2)	OW3—K—OT13^i	143.86 (11)
V1—V2—V5	61.06 (2)	OW4—K—OT13^i	120.32 (11)
V3—V2—V5	60.38 (3)	OW3—K—OT14	145.75 (11)
V4—V2—V5	91.09 (3)	OW4—K—OT14	84.64 (11)
V1^i—V3—V4	61.16 (2)	OT13^i—K—OT14	63.28 (9)
V2—V3—V4	60.19 (3)	OW3—K—OT11^ii	71.95 (10)
V1^i—V3—V5	61.74 (2)	OW4—K—OT11^ii	82.73 (11)
V2—V3—V5	60.30 (3)	OT13^i—K—OT11^ii	141.87 (10)
V4—V3—V5	90.91 (3)	OT14—K—OT11^ii	92.16 (10)
V5^i—V4—V2	120.08 (3)	OW3—K—OT12^iii	73.72 (10)
V5^i—V4—V1	61.47 (3)	OW4—K—OT12^iii	136.87 (11)
V2—V4—V1	58.64 (3)	OT13^i—K—OT12^iii	89.82 (10)
V3—V4—V1	89.56 (3)	OT14—K—OT12^iii	138.41 (10)
V4^i—V5—V2	119.85 (3)	OT11^ii—K—OT12^iii	91.37 (10)
V4^i—V5—V3	119.43 (3)	OW3—K—OW1	134.63 (11)
V2—V5—V3	59.31 (3)	OW4—K—OW1	143.02 (12)
OB4—V1—OB10	107.21 (14)	OT13^i—K—OW1	66.55 (11)
OB4—V1—OC3	98.40 (14)	OT14—K—OW1	65.76 (11)
OB10—V1—OC3	99.04 (14)	OT11^ii—K—OW1	77.05 (11)
OB4—V1—OC2	95.90 (14)	OT12^iii—K—OW1	74.77 (10)
OB10—V1—OC2	95.53 (14)	OW3—K—OW2	63.18 (10)
OC3—V1—OC2	155.55 (12)	OW4—K—OW2	70.71 (13)
OB4—V1—OH1	87.21 (14)	OT13^i—K—OW2	83.83 (13)
OB10—V1—OH1	165.28 (13)	OT14—K—OW2	120.51 (10)
OC3—V1—OH1	81.28 (12)	OT11^ii—K—OW2	134.21 (14)
OC2—V1—OH1	79.70 (12)	OT12^iii—K—OW2	84.09 (10)
OB4—V1—OH1^i	165.17 (14)	OW1—K—OW2	143.19 (15)
OB10—V1—OH1^i	87.40 (13)	OW3—K—OC3	116.76 (9)
OC3—V1—OH1^i	81.42 (12)	OW4—K—OC3	65.79 (10)
OC2—V1—OH1^i	79.73 (12)	OT13^i—K—OC3	54.55 (9)
OH1—V1—OH1^i	78.08 (12)	OT14—K—OC3	54.42 (8)
OT11—V2—OB5	103.03 (16)	OT11^ii—K—OC3	134.35 (10)
OT11—V2—OB8	101.99 (17)	OT12^iii—K—OC3	134.23 (10)
OB5—V2—OB8	91.32 (14)	OW1—K—OC3	108.61 (10)
OT11—V2—OB6	102.97 (17)	OW2—K—OC3	66.09 (9)
OB5—V2—OB6	90.76 (14)	OW3—Na1—OW2	81.75 (18)
OB8—V2—OB6	153.78 (14)	OW3—Na1—OW7	170.67 (17)
OT11—V2—OB4	101.28 (15)	OW2—Na1—OW7	104.85 (19)
OB5—V2—OB4	155.68 (13)	OW3—Na1—OW4	79.10 (15)
OB8—V2—OB4	83.81 (14)	OW2—Na1—OW4	92.44 (18)
OB6—V2—OB4	83.61 (13)	OW7—Na1—OW4	93.88 (16)
OT11—V2—OH1	175.67 (15)	OW3—Na1—OW5	87.53 (15)
OB5—V2—OH1	81.29 (12)	OW2—Na1—OW5	165.08 (18)
OB8—V2—OH1	77.37 (12)	OW7—Na1—OW5	87.04 (16)
OB6—V2—OH1	77.13 (12)	OW4—Na1—OW5	95.60 (16)
OB4—V2—OH1	74.40 (11)	OW3—Na1—OW6	95.68 (15)
OT12—V3—OB5	103.28 (16)	OW2—Na1—OW6	84.00 (18)
OT12—V3—OB7	101.63 (16)	OW7—Na1—OW6	91.60 (15)
OB5—V3—OB7	92.33 (14)	OW4—Na1—OW6	174.10 (18)
OT12—V3—OB9	102.74 (16)	OW5—Na1—OW6	86.86 (16)
OB5—V3—OB9	90.24 (14)	OW7^iv—Na2—OW7	104.9 (2)
OB7—V3—OB9	154.19 (14)	OW7^iv—Na2—OW8^iv	169.44 (16)
OT12—V3—OB10^i	100.73 (14)	OW7—Na2—OW8^iv	84.93 (13)
OB5—V3—OB10^i	155.95 (13)	OW7^iv—Na2—OW8	84.93 (13)
OB7—V3—OB10^i	84.27 (13)	OW7—Na2—OW8	169.44 (16)
OB9—V3—OB10^i	83.01 (13)	OW8^iv—Na2—OW8	85.5 (2)
OT12—V3—OH1	175.33 (15)	OW7^iv—Na2—OB10	91.70 (12)
OB5—V3—OH1	81.39 (12)	OW7—Na2—OB10	96.04 (12)
OB7—V3—OH1	77.80 (12)	OW8^iv—Na2—OB10	83.40 (12)
OB9—V3—OH1	77.21 (12)	OW8—Na2—OB10	87.28 (13)
OB10^i—V3—OH1	74.62 (11)	OW7^iv—Na2—OB10^iv	96.04 (12)
OT13—V4—OB6	103.66 (16)	OW7—Na2—OB10^iv	91.70 (12)
OT13—V4—OB7	100.87 (16)	OW8^iv—Na2—OB10^iv	87.28 (13)
OB6—V4—OB7	94.62 (14)	OW8—Na2—OB10^iv	83.40 (12)
OT13—V4—OC2	101.42 (15)	OB10—Na2—OB10^iv	167.3 (2)
OB6—V4—OC2	91.42 (13)	OW1^v—Na3—OW1^vi	83.0 (2)
OB7—V4—OC2	154.79 (13)	OW1^v—Na3—OW8	174.36 (17)
OT13—V4—OC3^i	98.82 (15)	OW1^vi—Na3—OW8	95.70 (14)
OB6—V4—OC3^i	156.31 (13)	OW1^v—Na3—OW8^iv	95.70 (14)
OB7—V4—OC3^i	88.31 (13)	OW1^vi—Na3—OW8^iv	174.36 (17)
OC2—V4—OC3^i	76.78 (12)	OW8—Na3—OW8^iv	86.1 (2)
OT13—V4—OH1	174.74 (15)	OW1^v—Na3—OT12^vii	94.72 (16)
OB6—V4—OH1	81.37 (12)	OW1^vi—Na3—OT12^vii	99.30 (16)
OB7—V4—OH1	80.04 (12)	OW8—Na3—OT12^vii	80.05 (13)
OC2—V4—OH1	76.70 (11)	OW8^iv—Na3—OT12^vii	86.27 (13)
OC3^i—V4—OH1	75.99 (11)	OW1^v—Na3—OT12^i	99.30 (17)
OT14—V5—OB9	103.53 (16)	OW1^vi—Na3—OT12^i	94.72 (16)
OT14—V5—OB8	101.15 (16)	OW8—Na3—OT12^i	86.27 (13)
OB9—V5—OB8	94.94 (14)	OW8^iv—Na3—OT12^i	80.05 (13)
OT14—V5—OC2^i	101.26 (15)	OT12^vii—Na3—OT12^i	161.3 (2)
OB9—V5—OC2^i	90.67 (13)	HW1A—OW1—HW1B	110.4
OB8—V5—OC2^i	154.91 (13)	HW2A—OW2—HW2B	97 (7)
OT14—V5—OC3	98.96 (15)	HW3A—OW3—HW3B	110.7
OB9—V5—OC3	156.00 (13)	HW4A—OW4—HW4B	110.7
OB8—V5—OC3	88.77 (13)	HW5A—OW5—HW5B	109.6
OC2^i—V5—OC3	76.71 (12)	HW6A—OW6—HW6B	110.2
OT14—V5—OH1	174.81 (15)	HW7A—OW7—HW7B	106.8
OB9—V5—OH1	81.19 (12)	HW8A—OW8—HW8B	110.3
OB8—V5—OH1	80.39 (12)

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+3/2, −y+1/2, −z+1; (iii) x+1/2, y+1/2, z; (iv) −x+1, y, −z+1/2; (v) −x+3/2, −y+3/2, −z+1; (vi) x−1/2, −y+3/2, z−1/2; (vii) x, −y+1, z−1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
OW1—HW1A···OW5^viii	0.97	2.07	2.989 (7)	157
OW1—HW1B···OW9^ii	0.97	2.33	3.082 (7)	134
OW2—HW2B···OB7^iii	0.82 (7)	2.04 (7)	2.842 (5)	165 (7)
OW2—HW2A···OB7^i	0.77 (7)	2.13 (7)	2.892 (5)	171 (7)
OW3—HW3A···OB5^iii	0.97	1.90	2.826 (5)	158
OW3—HW3B···OB5^ii	0.97	1.92	2.864 (5)	163
OW4—HW4A···OB8^ii	0.97	1.93	2.820 (5)	151
OW4—HW4B···OB8	0.97	2.24	2.956 (5)	130
OW5—HW5B···OB9^ii	0.96	1.95	2.847 (5)	154
OW5—HW5A···OT13^iv	0.96	2.18	2.941 (5)	136
OW6—HW6B···OB6^iii	0.97	2.16	2.871 (5)	130
OW6—HW6A···OT14^vii	0.95	2.58	2.908 (5)	101
OW7—HW7A···OC2^iv	0.97	1.90	2.838 (5)	161
OW7—HW7B···OW9	0.97	1.97	2.889 (7)	158
OW8—HW8B···OB9^i	0.97	2.08	2.903 (5)	142

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+3/2, −y+1/2, −z+1; (iii) x+1/2, y+1/2, z; (iv) −x+1, y, −z+1/2; (vii) x, −y+1, z−1/2; (viii) x, −y+1, z+1/2.