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.
Supporting information
CCDC reference: 1062362
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 |
Mr = 1503.44 | Dx = 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 | Rint = 0.0 |
Detector resolution: 8.33 pixels mm-1 | θmax = 28.3°, θmin = 2.3° |
ω scans | h = −14→14 |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | k = 0→14 |
Tmin = 0.485, Tmax = 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(Fo2) + (0.020P)2] where P = (Fo2 + 2Fc2)/3 |
4067 reflections | (Δ/σ)max = 0.001 |
280 parameters | Δρmax = 1.07 e Å−3 |
11 restraints | Δρmin = −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 | Uiso*/Ueq | 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—O14vi | 2.862 (2) |
Rb1—O17 | 2.9689 (3) | Rb2—O12ii | 2.941 (2) |
Rb1—O4iv | 2.971 (2) | Rb2—O20iii | 2.972 (2) |
Rb1—O8 | 2.981 (2) | Rb2—O8 | 2.970 (2) |
Rb1—O14v | 3.017 (2) | Rb2—O5iii | 3.125 (2) |
Rb1—O2 | 3.127 (2) | Rb2—O2vii | 3.130 (2) |
Rb1—O18 | 3.138 (3) | Rb2—O16 | 3.1361 (3) |
Rb1—O1 | 3.548 (2) | Rb2—O12viii | 3.210 (2) |
V3—O14 | 1.598 (2) | Rb2—O18ii | 3.324 (3) |
V3—O7 | 1.827 (2) | Rb2—O5ix | 3.473 (2) |
V3—O15 | 1.874 (2) | Rb2—O10ii | 3.556 (2) |
V3—O9 | 1.894 (2) | Na1—O18iv | 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—O2iv | 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) | O18iv—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—O2iv | 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) | O2iv—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···O20iv | 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···O4iv | 0.85 (1) | 2.56 (3) | 3.220 (3) | 135 (3) |
O2—H5···O10iv | 0.85 (1) | 2.35 (3) | 3.040 (3) | 139 (4) |
O2—H5···O15v | 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···O1iv | 0.85 (1) | 2.26 (2) | 2.990 (2) | 144 (3) |
O17—H10···O19iv | 0.85 (1) | 2.54 (3) | 3.096 (3) | 124 (3) |
O9—H11···O9x | 0.95 (1) | 2.52 (9) | 3.076 (4) | 117 (7) |
O9—H11···O14x | 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 topMineral 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 topAtom | 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, °) topV1 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—O6v | 2.019 (2) | V3—O4v | 2.039 (2) |
V1—O13v | 2.115 (2) | V2—O13v | 2.258 (2) | V3—O13v | 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—O10v | 1.985 (2) | Na1—O17 | 2.399 (3) |
V4—O1 | 2.037 (2) | V5—O10 | 1.997 (2) | | |
V4—O13v | 2.322 (2) | V5—O13v | 2.251 (2) | | |
| | | | | |
Rb1 polyhedron | | Rb2 polyhedron | | H–O–H in the H2O molecules | |
Rb1—O19 | 2.906 (3) | Rb2—O14iv | 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—O2vi | 3.127 (3) | H2—O19—H6 | 94 (4) |
Rb1—O14vii | 3.017 (2) | Rb2—O16 | 3.136 (1) | | |
Rb1—O2 | 3.127 (2) | Rb2—O12viii | 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 topCompound | 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. |