One-dimensional deca­vanadate chains in the crystal structure of Rb4[Na(H2O)6][HV10O28]·4H2O

Yakubovich, O.V.; Steele, I.M.; Yakovleva, E.V.; Dimitrova, O.V.

doi:10.1107/S205322961500844X

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One-dimensional decavanadate chains in the crystal structure of Rb₄[Na(H₂O)₆][HV₁₀O₂₈]·4H₂O

O. V. Yakubovich, I. M. Steele, E. V. Yakovleva and O. V. Dimitrova

New decavanadate minerals, the products of the leaching or metasomatic processes, are possible in nature via Na/Rb removal/inclusion reactions. As part of our search for novel vanadate phases with varying functionalities, a new phase, tetrarubidium hexaaquasodium hydrogen decavanadate tetrahydrate, Rb₄[Na(H₂O)₆][HV₁₀O₂₈]·4H₂O, has been synthesized by the hydrothermal technique at 553 K. Ten shared edges of V-centred octahedra form monoprotonated decavanadate cages, which are joined together via hydrogen bonds into one-dimensional chains parallel to the [101] direction. Within these chains, H atoms are sandwiched between neighbouring polyanions. Na and Rb atoms and H₂O molecules occupy interstices flanked by the anionic chains providing additional crosslinking in the structure. This compound is the second decavanadate with P2/n symmetry. Structural relationships among protonated and deprotonated decavanadates with inorganic cations, including minerals of the pascoite group, are discussed.

Keywords: rubidium sodium decavanadate hydrate; polyoxometallates; hydrothermal synthesis; one-dimensional chains; crystal structure; X-ray analysis; low-temperature data; hydrogen bonds; pascoite mineral group.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961500844X/ra5004sup1.cif Contains datablock I
	Structure factor file (CIF format) https://doi.org/10.1107/S205322961500844X/ra5004Isup2.hkl Contains datablock I

CCDC reference: 1062362

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SIR92 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Tetrarubidium hexaaquasodium hydrogen decavanadate tetrahydrate, top

Crystal data top

Rb₄[Na(H₂O)₆][HV₁₀O₂₈]·4H₂O	F(000) = 1428
M_r = 1503.44	D_x = 3.049 Mg m⁻³
Monoclinic, P2/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.7971 (5) Å	Cell parameters from 4067 reflections
b = 11.0286 (5) Å	θ = 2.3–28.3°
c = 13.7963 (6) Å	µ = 8.76 mm⁻¹
β = 94.4500 (16)°	T = 100 K
V = 1637.87 (13) Å³	Plate, orange
Z = 2	0.12 × 0.08 × 0.05 mm

Data collection top

Bruker Duel Microsource D8 Venture diffractometer	4067 independent reflections
Radiation source: fine-focus sealed tube	3523 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.0
Detector resolution: 8.33 pixels mm^-1	θ_max = 28.3°, θ_min = 2.3°
ω scans	h = −14→14
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = 0→14
T_min = 0.485, T_max = 0.675	l = 0→18
4067 measured reflections

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)] = 0.032	Hydrogen site location: difference Fourier map
wR(F²) = 0.065	All H-atom parameters refined
S = 1.70	w = 1/[σ²(F_o²) + (0.020P)²] where P = (F_o² + 2F_c²)/3
4067 reflections	(Δ/σ)_max = 0.001
280 parameters	Δρ_max = 1.07 e Å⁻³
11 restraints	Δρ_min = −0.68 e Å⁻³

Special details top

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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	0.40157 (5)	0.72260 (5)	0.25833 (4)	0.00547 (11)
Rb1	0.75855 (3)	0.77959 (3)	0.03544 (2)	0.01080 (8)
V3	0.10598 (5)	0.72199 (5)	0.02107 (4)	0.00942 (12)
V4	0.38929 (5)	0.72219 (5)	0.03483 (4)	0.00713 (12)
V5	0.24799 (5)	0.92450 (5)	0.13965 (4)	0.00618 (11)
V2	0.25573 (5)	0.51712 (5)	0.14128 (4)	0.00639 (12)
Rb2	0.54113 (3)	0.79913 (3)	−0.24020 (2)	0.01195 (8)
Na1	0.7500	0.99345 (15)	0.2500	0.0101 (4)
O1	0.49314 (19)	0.72122 (18)	0.16453 (15)	0.0080 (4)
O2	0.9031 (2)	0.9973 (2)	0.13562 (17)	0.0137 (5)
O3	0.37038 (19)	0.55569 (18)	0.06091 (15)	0.0079 (4)
O4	0.49683 (19)	0.72219 (18)	0.36108 (15)	0.0083 (4)
O5	0.25466 (19)	0.37180 (19)	0.14267 (15)	0.0094 (5)
O6	0.36415 (18)	0.55109 (18)	0.25682 (14)	0.0060 (4)
O7	0.24624 (19)	0.72142 (18)	−0.04499 (15)	0.0082 (4)
O8	0.4976 (2)	0.72560 (19)	−0.03851 (16)	0.0105 (5)
O9	0.12194 (19)	0.55375 (19)	0.04649 (15)	0.0084 (5)
O10	0.36496 (18)	0.89293 (18)	0.25627 (15)	0.0069 (4)
O11	0.37202 (19)	0.88755 (19)	0.06156 (15)	0.0085 (5)
O12	0.24781 (19)	1.07086 (19)	0.14068 (15)	0.0094 (5)
O13	0.25203 (18)	0.72109 (18)	0.34656 (15)	0.0074 (4)
O14	−0.0068 (2)	0.72361 (19)	−0.06110 (16)	0.0116 (5)
O15	0.12369 (19)	0.88781 (19)	0.04829 (15)	0.0086 (5)
O16	0.2500	0.7950 (3)	−0.2500	0.0165 (7)
O17	0.7500	0.7759 (3)	0.2500	0.0090 (6)
O18	0.6030 (2)	0.9917 (2)	0.11687 (17)	0.0138 (5)
O19	0.7109 (2)	0.5460 (2)	0.12259 (18)	0.0166 (5)
O20	0.5902 (2)	0.4364 (2)	0.27005 (18)	0.0163 (5)
H1	0.610 (4)	1.032 (3)	0.0650 (16)	0.035 (9)*
H2	0.7832 (17)	0.516 (4)	0.134 (3)	0.044 (10)*
H3	0.240 (4)	0.758 (3)	−0.1970 (16)	0.038 (9)*
H4	0.889 (4)	1.030 (4)	0.0800 (13)	0.039 (9)*
H5	0.967 (2)	0.952 (3)	0.136 (3)	0.039 (9)*
H6	0.697 (4)	0.509 (4)	0.0689 (16)	0.044 (10)*
H7	0.538 (2)	0.949 (3)	0.117 (3)	0.035 (9)*
H8	0.621 (4)	0.467 (4)	0.221 (2)	0.051 (11)*
H9	0.521 (2)	0.473 (4)	0.265 (3)	0.051 (11)*
H10	0.810 (2)	0.729 (3)	0.268 (3)	0.038 (9)*
H11	0.069 (7)	0.491 (7)	0.065 (8)	0.12 (5)*	0.50

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
V1	0.0042 (2)	0.0053 (3)	0.0069 (3)	0.0000 (2)	0.0001 (2)	−0.0005 (2)
Rb1	0.01140 (15)	0.01237 (17)	0.00842 (15)	0.00124 (12)	−0.00059 (12)	−0.00069 (12)
V3	0.0068 (3)	0.0146 (3)	0.0068 (3)	−0.0016 (2)	0.0003 (2)	−0.0027 (2)
V4	0.0069 (2)	0.0077 (3)	0.0071 (3)	−0.0008 (2)	0.0020 (2)	−0.0007 (2)
V5	0.0070 (3)	0.0056 (3)	0.0059 (2)	−0.0002 (2)	0.0003 (2)	0.0003 (2)
V2	0.0079 (3)	0.0050 (3)	0.0063 (3)	−0.0003 (2)	0.0008 (2)	−0.0010 (2)
Rb2	0.01160 (16)	0.01445 (16)	0.00942 (15)	−0.00240 (12)	−0.00161 (12)	0.00034 (12)
Na1	0.0115 (9)	0.0090 (9)	0.0093 (9)	0.000	−0.0016 (7)	0.000
O1	0.0065 (10)	0.0079 (11)	0.0099 (11)	0.0001 (9)	0.0020 (9)	0.0010 (9)
O2	0.0106 (12)	0.0132 (12)	0.0174 (13)	0.0052 (10)	0.0018 (10)	0.0016 (10)
O3	0.0093 (11)	0.0061 (11)	0.0087 (11)	−0.0003 (9)	0.0029 (9)	−0.0009 (9)
O4	0.0074 (10)	0.0060 (11)	0.0115 (11)	0.0017 (9)	0.0003 (9)	−0.0015 (9)
O5	0.0107 (11)	0.0091 (11)	0.0082 (11)	0.0004 (9)	−0.0001 (9)	−0.0017 (9)
O6	0.0054 (10)	0.0061 (11)	0.0068 (10)	−0.0001 (8)	0.0020 (8)	−0.0001 (8)
O7	0.0088 (11)	0.0086 (11)	0.0073 (11)	−0.0011 (9)	0.0012 (9)	−0.0008 (9)
O8	0.0112 (11)	0.0113 (11)	0.0094 (11)	0.0011 (9)	0.0024 (9)	−0.0004 (9)
O9	0.0080 (11)	0.0069 (11)	0.0104 (11)	−0.0010 (9)	0.0013 (9)	0.0008 (9)
O10	0.0071 (10)	0.0046 (11)	0.0087 (11)	−0.0013 (8)	−0.0010 (9)	0.0003 (8)
O11	0.0096 (11)	0.0082 (11)	0.0079 (11)	−0.0019 (9)	0.0018 (9)	0.0008 (9)
O12	0.0110 (11)	0.0063 (11)	0.0110 (11)	−0.0001 (9)	0.0008 (9)	−0.0023 (9)
O13	0.0069 (11)	0.0049 (11)	0.0107 (11)	0.0003 (8)	0.0017 (9)	−0.0004 (9)
O14	0.0090 (11)	0.0169 (13)	0.0089 (11)	−0.0008 (9)	0.0001 (9)	−0.0041 (9)
O15	0.0080 (11)	0.0096 (11)	0.0083 (11)	0.0003 (9)	0.0007 (9)	−0.0008 (9)
O16	0.0205 (18)	0.0106 (18)	0.0189 (19)	0.000	0.0042 (16)	0.000
O17	0.0090 (16)	0.0080 (17)	0.0094 (16)	0.000	−0.0024 (13)	0.000
O18	0.0104 (11)	0.0172 (13)	0.0131 (12)	−0.0078 (10)	−0.0037 (10)	0.0075 (10)
O19	0.0208 (13)	0.0150 (13)	0.0139 (13)	−0.0002 (11)	0.0006 (11)	−0.0048 (10)
O20	0.0116 (12)	0.0164 (13)	0.0214 (13)	0.0051 (10)	0.0052 (11)	0.0022 (11)

Geometric parameters (Å, º) top

V1—O1	1.688 (2)	V5—O10	1.997 (2)
V1—O4	1.686 (2)	V5—O13ⁱ	2.251 (2)
V1—O10	1.919 (2)	V5—V5ⁱ	3.0417 (10)
V1—O6	1.934 (2)	V2—O5	1.603 (2)
V1—O13	2.096 (2)	V2—O3	1.776 (2)
V1—O13ⁱ	2.115 (2)	V2—O9	1.915 (2)
V1—V3ⁱ	3.0510 (7)	V2—O6	1.940 (2)
V1—V4	3.0760 (7)	V2—O6ⁱ	2.019 (2)
Rb1—O19	2.906 (3)	V2—O13ⁱ	2.258 (2)
Rb1—O12ⁱⁱ	2.933 (2)	V2—V2ⁱ	3.0120 (10)
Rb1—O5ⁱⁱⁱ	2.965 (2)	Rb2—O14^vi	2.862 (2)
Rb1—O17	2.9689 (3)	Rb2—O12ⁱⁱ	2.941 (2)
Rb1—O4^iv	2.971 (2)	Rb2—O20ⁱⁱⁱ	2.972 (2)
Rb1—O8	2.981 (2)	Rb2—O8	2.970 (2)
Rb1—O14^v	3.017 (2)	Rb2—O5ⁱⁱⁱ	3.125 (2)
Rb1—O2	3.127 (2)	Rb2—O2^vii	3.130 (2)
Rb1—O18	3.138 (3)	Rb2—O16	3.1361 (3)
Rb1—O1	3.548 (2)	Rb2—O12^viii	3.210 (2)
V3—O14	1.598 (2)	Rb2—O18ⁱⁱ	3.324 (3)
V3—O7	1.827 (2)	Rb2—O5^ix	3.473 (2)
V3—O15	1.874 (2)	Rb2—O10ⁱⁱ	3.556 (2)
V3—O9	1.894 (2)	Na1—O18^iv	2.332 (2)
V3—O4ⁱ	2.039 (2)	Na1—O18	2.332 (2)
V3—O13ⁱ	2.292 (2)	Na1—O16ⁱⁱ	2.333 (4)
V3—V4	3.0501 (8)	Na1—O2^iv	2.373 (2)
V3—V1ⁱ	3.0510 (7)	Na1—O2	2.373 (2)
V3—V5	3.1027 (8)	Na1—O17	2.399 (3)
V4—O8	1.605 (2)	O2—H4	0.8500 (10)
V4—O7	1.826 (2)	O2—H5	0.8500 (11)
V4—O11	1.873 (2)	O9—H11	0.9500 (10)
V4—O3	1.885 (2)	O16—H3	0.8501 (10)
V4—O1	2.037 (2)	O17—H10	0.8499 (10)
V4—O13ⁱ	2.322 (2)	O18—H1	0.8500 (10)
V4—V2	3.1113 (7)	O18—H7	0.8499 (10)
V5—O12	1.614 (2)	O19—H2	0.8500 (11)
V5—O15	1.814 (2)	O19—H6	0.8499 (10)
V5—O11	1.829 (2)	O20—H8	0.8499 (10)
V5—O10ⁱ	1.985 (2)	O20—H9	0.8499 (10)

O1—V1—O4	106.81 (11)	O10ⁱ—V5—O13ⁱ	76.11 (8)
O1—V1—O10	97.45 (9)	O10—V5—O13ⁱ	76.26 (8)
O4—V1—O10	97.27 (9)	O5—V2—O3	104.65 (10)
O1—V1—O6	96.73 (9)	O5—V2—O9	102.32 (10)
O4—V1—O6	96.88 (9)	O3—V2—O9	92.78 (9)
O10—V1—O6	156.12 (9)	O5—V2—O6	100.82 (10)
O1—V1—O13	165.51 (9)	O3—V2—O6	93.51 (9)
O4—V1—O13	87.64 (9)	O9—V2—O6	153.60 (9)
O10—V1—O13	81.33 (8)	O5—V2—O6ⁱ	99.88 (9)
O6—V1—O13	80.14 (8)	O3—V2—O6ⁱ	154.93 (9)
O1—V1—O13ⁱ	87.15 (9)	O9—V2—O6ⁱ	86.91 (9)
O4—V1—O13ⁱ	166.02 (9)	O6—V2—O6ⁱ	76.74 (9)
O10—V1—O13ⁱ	81.25 (8)	O5—V2—O13ⁱ	174.26 (9)
O6—V1—O13ⁱ	80.38 (8)	O3—V2—O13ⁱ	80.76 (8)
O13—V1—O13ⁱ	78.39 (9)	O9—V2—O13ⁱ	79.06 (8)
V3ⁱ—V1—V4	176.00 (2)	O6—V2—O13ⁱ	76.70 (8)
O14—V3—O7	105.16 (10)	O6ⁱ—V2—O13ⁱ	74.56 (8)
O14—V3—O15	101.05 (10)	V2ⁱ—V2—V4	121.768 (18)
O7—V3—O15	91.59 (9)	O18^iv—Na1—O18	179.06 (14)
O14—V3—O9	101.29 (10)	O18—Na1—O16ⁱⁱ	90.47 (7)
O7—V3—O9	91.26 (9)	O18—Na1—O2^iv	93.29 (8)
O15—V3—O9	155.89 (9)	O18—Na1—O2	86.73 (8)
O14—V3—O4ⁱ	97.69 (10)	O16ⁱⁱ—Na1—O2	88.97 (7)
O7—V3—O4ⁱ	157.15 (9)	O2^iv—Na1—O2	177.95 (14)
O15—V3—O4ⁱ	83.83 (8)	O18—Na1—O17	89.53 (7)
O9—V3—O4ⁱ	84.30 (9)	O2—Na1—O17	91.03 (7)
O14—V3—O13ⁱ	172.40 (9)	V1—O1—V4	110.99 (11)
O7—V3—O13ⁱ	82.43 (8)	H4—O2—H5	110 (4)
O15—V3—O13ⁱ	78.05 (8)	V2—O3—V4	116.32 (11)
O9—V3—O13ⁱ	78.61 (8)	V1—O4—V3ⁱ	109.65 (11)
O4ⁱ—V3—O13ⁱ	74.72 (8)	V1—O6—V2	108.06 (10)
O8—V4—O7	104.11 (11)	V1—O6—V2ⁱ	108.59 (10)
O8—V4—O11	100.94 (10)	V2—O6—V2ⁱ	99.08 (9)
O7—V4—O11	91.76 (9)	V4—O7—V3	113.22 (11)
O8—V4—O3	103.78 (10)	V3—O9—V2	112.72 (11)
O7—V4—O3	90.66 (9)	V1—O10—V5ⁱ	107.36 (10)
O11—V4—O3	153.76 (9)	V1—O10—V5	107.41 (10)
O8—V4—O1	100.10 (10)	V5ⁱ—O10—V5	99.59 (9)
O7—V4—O1	155.79 (9)	V5—O11—V4	114.94 (11)
O11—V4—O1	83.60 (8)	V1—O13—V1ⁱ	101.60 (9)
O3—V4—O1	83.55 (9)	V1—O13—V5ⁱ	92.66 (8)
O8—V4—O13ⁱ	174.22 (10)	V1ⁱ—O13—V5ⁱ	92.57 (8)
O7—V4—O13ⁱ	81.58 (8)	V1—O13—V2ⁱ	94.92 (8)
O11—V4—O13ⁱ	77.61 (8)	V1ⁱ—O13—V2ⁱ	91.55 (8)
O3—V4—O13ⁱ	76.91 (8)	V5ⁱ—O13—V2ⁱ	170.48 (10)
O1—V4—O13ⁱ	74.21 (8)	V1—O13—V3ⁱ	87.99 (7)
O12—V5—O15	103.17 (10)	V1ⁱ—O13—V3ⁱ	170.38 (10)
O12—V5—O11	103.27 (10)	V5ⁱ—O13—V3ⁱ	86.15 (7)
O15—V5—O11	94.42 (9)	V2ⁱ—O13—V3ⁱ	88.37 (7)
O12—V5—O10ⁱ	99.66 (9)	V1—O13—V4ⁱ	170.72 (11)
O15—V5—O10ⁱ	90.03 (9)	V1ⁱ—O13—V4ⁱ	87.64 (7)
O11—V5—O10ⁱ	154.95 (9)	V5ⁱ—O13—V4ⁱ	86.04 (7)
O12—V5—O10	99.70 (10)	V2ⁱ—O13—V4ⁱ	85.56 (7)
O15—V5—O10	155.26 (9)	V3ⁱ—O13—V4ⁱ	82.76 (7)
O11—V5—O10	89.40 (9)	V5—O15—V3	114.55 (11)
O10ⁱ—V5—O10	76.84 (9)	H1—O18—H7	114 (4)
O12—V5—O13ⁱ	174.64 (9)	H2—O19—H6	94 (4)
O15—V5—O13ⁱ	80.30 (9)	H8—O20—H9	98 (4)
O11—V5—O13ⁱ	80.36 (8)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O18—H1···O11ⁱⁱ	0.85 (1)	1.98 (1)	2.830 (3)	175 (4)
O18—H7···O11	0.85 (1)	2.01 (2)	2.798 (3)	155 (4)
O19—H2···O20^iv	0.85 (1)	2.03 (2)	2.788 (4)	149 (4)
O19—H6···O3ⁱⁱⁱ	0.85 (1)	2.01 (1)	2.845 (3)	167 (4)
O19—H6···O7ⁱⁱⁱ	0.85 (1)	2.64 (4)	3.183 (3)	123 (3)
O16—H3···O7	0.85 (1)	2.13 (2)	2.946 (2)	160 (4)
O2—H4···O15ⁱⁱ	0.85 (1)	1.99 (1)	2.831 (3)	173 (4)
O2—H5···O4^iv	0.85 (1)	2.56 (3)	3.220 (3)	135 (3)
O2—H5···O10^iv	0.85 (1)	2.35 (3)	3.040 (3)	139 (4)
O2—H5···O15^v	0.85 (1)	2.27 (2)	3.005 (3)	145 (4)
O20—H8···O19	0.85 (1)	1.93 (1)	2.777 (3)	171 (4)
O20—H9···O6	0.85 (1)	1.89 (1)	2.742 (3)	178 (5)
O17—H10···O1^iv	0.85 (1)	2.26 (2)	2.990 (2)	144 (3)
O17—H10···O19^iv	0.85 (1)	2.54 (3)	3.096 (3)	124 (3)
O9—H11···O9^x	0.95 (1)	2.52 (9)	3.076 (4)	117 (7)
O9—H11···O14^x	0.95 (1)	2.45 (6)	3.314 (3)	150 (9)

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

Minerals of the pascoite group top

Mineral name	Chemical formula	Space group	Reference
Schindlerite	Na₂(H₃O)₄(V₁₀O₂₈)·10H₂O	P1	Kampf, Hughes, Marty & Nash (2013)
Wernerbaurite	Ca(H₃O)₂(V₁₀O₂₈)·16H₂O	P1	Kampf, Hughes, Marty & Nash (2013)
Kokinosite	Na₂Ca₂(V₁₀O₂₈)·24H₂O	P1	Kampf et al. (2014)
Hughesite	Na₃Al(V₁₀O₂₈)·22H₂O	P1	Rakovan et al. (2011)
Huemulite	Na₄Mg(V₁₀O₂₈)·24H₂O	P1	Colombo et al. (2011)
Hummerite	K₂Mg₂(V₁₀O₂₈)·16H₂O	P1	Hughes et al. (2002)
Pascoite	Ca₃(V₁₀O₂₈)·10H₂O	C2/m	Hughes et al. (2005)
Magnesiopascoite	Ca₂Mg(V₁₀O₂₈)·16H₂O	C2/m	Kampf & Steele (2008)
Lasalite	Na₂Mg₂(V₁₀O₂₈)·20H₂O	C2/c	Hughes et al. (2008)
Postite	MgAl₂(OH)₂(V₁₀O₂₈)·27H₂O	Pccn	Kampf et al. (2012)
Nashite	Na₃Ca₂(V⁵⁺₉V⁴⁺O₂₈)·24H₂O	P2₁/n	Kampf, Hughes, Marty & Brown (2013)
Gunterite	Na₄(H₂V₁₀O₂₈)·22H₂O	C2/m	Kampf, Hughes, Marty & Nash (2011)
Rakovanite	Na₃(H₃V₁₀O₂₈)·15H₂O	P2₁/n	Kampf, Hughes, Marty & Gunter (2011)

Bond-valence data top

Atom	V1	V2	V3	V4	V5	Na1	Rb1	Rb2	H1	H2	H3	H4	H5	H6	H7	H8	H9	H10	H11	Σ
O1	1.36			0.53		.0.03												0.04		1.96
O2						0.21_↓2	0.09			.0.83	0.90									2.12
O3		1.08		0.80										0.12						2.00
O4	1.37		0.53				0.15						0.02							2.07
O5		1.71					0.15	0.10; 0.04												2.00
O6	0.70	0.69; 0.56															0.20			2.15
O7			0.94	0.94							0.11			0.03						2.02
O8				1.70			0.14	0.15												1.99
O9		0.74	0.78																0.47	1.99
O10	0.73				0.62; 0.59			0.03					0.03							2.00
O11				0.82	0.93				0.17						0.17					2.09
O12					1.65		0.16	0.16; 0.08												2.05
O13	0.45; 0.43	0.29	0.27	0.25	0.03															1.99
O14			1.72				0.13	0.20											0.03	2.08
O15			0.82		0.96							0.17	0.05							2.00
O16						0.24		0.09			0.89_→₂									2.11
O17						0.20	0.15											0.90_→₂		2.15
O18						0.24_↓2	0.09	0.06	0.83						0.83					2.05
O19							0.17			0.820				0.85		0.18		0.06		2.08
O20								0.15		0.180						0.82	0.80			1.95
Σ	5.04	5.07	5.06	5.04	5.05	1.34	1.26	1.15	1.0	1.0	1.0	1.0	1.0	1.0	1.0	1.0	1.0	1.0	0.50

Note: values marked by ↓2 and →2 contribute 2 times to the sum, respectively, along the column or the row by symmetry.

Selected geometric parameters (Å, °) top

V1 octahedron		V2 octahedron		V3 octahedron
V1—O1	1.688 (2)	V2—O5	1.603 (2)	V3—O14	1.598 (2)
V1—O4	1.686 (2)	V2—O3	1.776 (2)	V3—O7	1.827 (2)
V1—O10	1.919 (2)	V2—O9	1.915 (2)	V3—O15	1.874 (2)
V1—O6	1.934 (2)	V2—O6	1.940 (2)	V3—O9	1.894 (2)
V1—O13	2.096 (2)	V2—O6^v	2.019 (2)	V3—O4^v	2.039 (2)
V1—O13^v	2.115 (2)	V2—O13^v	2.258 (2)	V3—O13^v	2.292 (2)

V4 octahedron		V5 octahedron		Na1 octahedron
V4—O8	1.605 (2)	V5—O12	1.614 (2)	Na1—O18	2.332 (2) (×2)
V4—O7	1.826 (2)	V5—O15	1.814 (2)	Na1—O16ⁱ	2.333 (4)
V4—O11	1.873 (2)	V5—O11	1.829 (2)	Na1—O2	2.373 (2) (×2)
V4—O3	1.885 (2)	V5—O10^v	1.985 (2)	Na1—O17	2.399 (3)
V4—O1	2.037 (2)	V5—O10	1.997 (2)
V4—O13^v	2.322 (2)	V5—O13^v	2.251 (2)

Rb1 polyhedron		Rb2 polyhedron		H–O–H in the H₂O molecules
Rb1—O19	2.906 (3)	Rb2—O14^iv	2.862 (2)	H4—O2—H5	110 (4)
Rb1—O12¹	2.933 (2)	Rb2—O12ⁱ	2.941 (2)	H10—O17—H10	99 (4)
Rb1—O5ⁱⁱⁱ	2.965 (2)	Rb2—O8	2.970 (2)	H1—O18—H7	114 (4)
Rb1—O17	2.969 (1)	Rb2—O20ⁱⁱⁱ	2.972 (2)	H3—O16—H3	109 (4)
Rb1—O4ⁱⁱ	2.971 (2)	Rb2—O5ⁱⁱⁱ	3.125 (2)	H8—O20—H9	98 (4)
Rb1—O8	2.981 (2)	Rb2—O2^vi	3.127 (3)	H2—O19—H6	94 (4)
Rb1—O14^vii	3.017 (2)	Rb2—O16	3.136 (1)
Rb1—O2	3.127 (2)	Rb2—O12^viii	3.210 (2)
Rb1—O18	3.138 (3)	Rb2—O18	3.324 (3)

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

Sodium/rubidium decavanadates with different degrees of anion protonation top

Compound	Unit-cell parameters (a, b and c; Å) and angles (α, β and γ; °)	Volume (Å³), Z, V/Z (Å³)	Space group	Reference
Na₄Rb₂(V₁₀O₂₈)(H₂O)₁₀	8.556 (1), 10.448 (1), 11.237 (2) 68.483 (1), 87.170 (2), 67.291 (1)	857.0, 1, 857	P1	Liu et al. (2012)
NaRb₄(HV₁₀O₂₈)(H₂O)₁₀*	10.797 (1), 11.029 (1), 13.796 (1) 94.450 (2)	1637.9, 2, 819	P2/n	This work
Na₆(V₁₀O₂₈)(H₂O)₁₈	8.545 (2), 10.827 (2), 11.627 (2) 105.48 (3), 99.38 (3), 101.29 (3)	989.9, 1, 989	P1	Kaziev et al. (2010)
Rakovanite, Na₃(H₃V₁₀O₂₈)(H₂O)₁₅	12.025 (2), 17.121 (3), 18.140 (3) 106.242 (8)	3585.5, 4, 896	P2₁/n	Duraisamy et al. (2000)
Na₆(V₁₀O₂₈)(H₂O)₂₄	10.5834 (3), 11.3803 (3), 11.6367 (3) 108.682 (4), 103.775 (2), 111.674 (3)	1128.2, 1, 1128	P1	Guo & Yao (2007)
Gunterite, Na₄(H₂V₁₀O₂₈)(H₂O)₂₂	19.848 (2), 10.189 (1), 13.118 (2) 130.187 (9)	2026.6, 2, 1013	C2/m	Kampf, Hughes, Marty & Nash (2011)

Note: (*) values for unit-cell parameters and volume correspond to a temperature of 100 K.

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One-dimensional deca­vanadate chains in the crystal structure of Rb4[Na(H2O)6][HV10O28]·4H2O

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One-dimensional decavanadate chains in the crystal structure of Rb₄[Na(H₂O)₆][HV₁₀O₂₈]·4H₂O