Microporous VSH-13Na of composition Na2(VO)(Si4O10)·3H2O was synthesized under mild hydrothermal conditions and studied by single-crystal X-ray diffraction at room temperature and 398 K. Its vanadosilicate framework, consisting of sheets of silicate tetrahedra connected by vanadyl-type square-based pyramids, closely resembles that of the mineral cavansite, Ca(VO)(Si4O10)·4H2O. Due to the disorder in the orientation of the short apical vanadyl groups, the topological symmetry of VSH-13Na was originally described in space group Imma. However, when analysing the systematic absences in our dataset, only the 21 screw axis along b was strictly fulfilled suggesting monoclinic space group P1211. The resulting structure in P21 with a = 14.364 (4), b = 9.134 (2), c = 10.373 (3) Å, β = 90.056 (7)°, V = 1360.9 (7) Å3 was interpreted as a case of allotwinning of two polytypes with topologically idealized orthorhombic symmetry: A (∼62%) with antiparallel orientation of the vanadyl groups in adjacent (100) layers and B (∼38%) with all vanadyl groups in adjacent layers oriented in the same way. At 398 K, the structure of VSH-13Na became fully dehydrated and adopted the unit-cell parameters a = 12.584 (16), b = 9.525 (13), c = 9.696 (14) Å, β = 90.10 (4)°, V = 1162 (3) Å3 (space group P21). Release of H2O caused severe contraction of T—O—T angles and the unit-cell volume decreased by ∼15%. Despite their structural similarity, the VSH-13Na framework seems to be more flexible upon dehydration compared with cavansite, whose structure collapsed before removal of the last H2O molecule. Thus, the presence of monovalent or divalent extraframework cations plays a key role in the dehydration process of natural and synthetic vanadosilicates.
Supporting information
CCDC references: 1861363; 1863348; 1863349
Program(s) used to solve structure: SHELXT 2014/5 (Sheldrick, 2014) for (I). For all structures, program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2018).
Crystal data top
H0Na2O14Si4V | F(000) = 852 |
Mr = 433.28 | Dx = 2.122 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
a = 14.3328 (7) Å | Cell parameters from 29173 reflections |
b = 9.1209 (4) Å | θ = 1.6–26.4° |
c = 10.3732 (5) Å | µ = 1.22 mm−1 |
β = 90.007 (2)° | T = 304 K |
V = 1356.07 (11) Å3 | Prismatic, blue |
Z = 4 | 0.10 × 0.05 × 0.03 mm |
Data collection top
Bruker D8 Venture diffractometer | Rint = 0.078 |
Absorption correction: multi-scan (SADABS; Bruker, 2003) | θmax = 26.4°, θmin = 2.2° |
| h = −17→17 |
29173 measured reflections | k = −11→11 |
5549 independent reflections | l = −12→12 |
4686 reflections with I > 2σ(I) | |
Refinement top
Refinement on F2 | H-atom parameters not defined |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.1155P)2 + 43.7061P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.110 | (Δ/σ)max = 0.015 |
wR(F2) = 0.287 | Δρmax = 2.18 e Å−3 |
S = 1.05 | Δρmin = −2.63 e Å−3 |
5549 reflections | Extinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
188 parameters | Extinction coefficient: 0.030 (4) |
81 restraints | Absolute structure: Twinning involves inversion, so Flack parameter cannot be determined |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
V1 | 0.0023 (3) | 0.7464 (5) | 0.0285 (4) | 0.0125 (6) | |
V2 | 0.5002 (5) | 0.1236 (9) | 0.4607 (6) | 0.0125 (6) | 0.625 |
V2A | 0.4975 (9) | 0.2346 (13) | 0.5177 (9) | 0.0125 (6) | 0.375 |
Si1 | 0.2096 (5) | 0.6161 (9) | 0.1163 (7) | 0.0152 (5) | |
Si2 | 0.1976 (5) | 0.7784 (9) | −0.1164 (7) | 0.0152 (5) | |
Si3 | 0.1943 (5) | 0.1183 (9) | 0.8558 (7) | 0.0152 (5) | |
Si4 | 0.2058 (5) | 0.2788 (9) | 1.0972 (7) | 0.0152 (5) | |
Si5 | 0.2955 (5) | 0.1003 (9) | 0.5991 (7) | 0.0152 (5) | |
Si6 | 0.3051 (5) | 0.2592 (9) | 0.3508 (7) | 0.0152 (5) | |
Si7 | 0.2982 (5) | 0.7562 (9) | 0.6223 (7) | 0.0152 (5) | |
Si8 | 0.3068 (5) | 0.6001 (9) | 0.3647 (6) | 0.0152 (5) | |
Na11 | 0.0075 (10) | 0.4460 (13) | 0.2158 (15) | 0.0298 (14) | |
Na12 | 0.4879 (10) | 0.9272 (14) | 0.7138 (15) | 0.0298 (14) | |
Na21 | −0.0125 (11) | 0.5811 (18) | −0.2577 (14) | 0.039 (2) | |
Na22 | 0.498 (2) | 0.292 (4) | 0.773 (2) | 0.039 (2) | 0.622 |
Na2A | 0.512 (3) | 0.286 (5) | 0.720 (4) | 0.039 (2) | 0.378 |
O11 | 0.0985 (11) | 0.239 (2) | 1.1105 (19) | 0.0169 (11) | |
O12 | 0.0851 (11) | 0.139 (2) | 0.8610 (18) | 0.0169 (11) | |
O13 | 0.4059 (11) | 0.116 (2) | 0.6069 (18) | 0.0169 (11) | |
O14 | 0.4136 (11) | 0.228 (2) | 0.3464 (17) | 0.0169 (11) | |
O15 | 0.4172 (11) | 0.625 (2) | 0.3767 (18) | 0.0169 (11) | |
O16 | 0.4120 (11) | 0.744 (2) | 0.6196 (16) | 0.0169 (11) | |
O17 | 0.0856 (11) | 0.751 (3) | −0.1170 (19) | 0.0169 (11) | |
O18 | 0.1026 (11) | 0.650 (2) | 0.1374 (17) | 0.0169 (11) | |
O21 | 0.2651 (13) | −0.0704 (17) | 0.6047 (17) | 0.0184 (16) | |
O22 | 0.2232 (14) | −0.0489 (17) | 0.8693 (17) | 0.0184 (16) | |
O23 | 0.2291 (13) | 0.4495 (17) | 1.0833 (18) | 0.0184 (16) | |
O24 | 0.2741 (14) | 0.4294 (17) | 0.3789 (17) | 0.0184 (16) | |
O31 | 0.2408 (15) | 0.176 (2) | 0.7220 (17) | 0.0241 (19) | |
O32 | 0.2599 (15) | 0.206 (2) | 0.2153 (17) | 0.0241 (19) | |
O33 | 0.2466 (14) | 0.697 (2) | −0.2413 (16) | 0.0241 (19) | |
O34 | 0.2650 (14) | 0.671 (2) | 0.2381 (16) | 0.0241 (19) | |
O41 | 0.2530 (12) | 0.6799 (18) | 0.4838 (15) | 0.0166 (16) | |
O42 | 0.2486 (11) | 0.723 (2) | 0.0134 (15) | 0.0166 (16) | |
O43 | 0.2481 (12) | 0.204 (2) | 0.9689 (17) | 0.0166 (16) | |
O44 | 0.2513 (12) | 0.168 (2) | 0.4665 (16) | 0.0166 (16) | |
OV1 | 0.001 (2) | 0.9088 (19) | 0.0846 (19) | 0.026 (5) | |
OV2 | 0.494 (2) | 0.437 (3) | 0.579 (2) | 0.050 (8) | |
OW1 | 0.033 (2) | 0.289 (4) | 0.404 (3) | 0.066 (6)* | |
OW2 | 0.499 (3) | 1.046 (3) | 0.916 (3) | 0.066 (6)* | |
OW3 | −0.107 (2) | 0.390 (4) | −0.364 (3) | 0.060 (3)* | |
OW4 | 0.390 (2) | 0.426 (4) | 0.865 (3) | 0.060 (3)* | |
OW5 | 0.114 (2) | 0.443 (4) | −0.374 (3) | 0.060 (3)* | |
OW6 | 0.620 (2) | 0.439 (4) | 0.855 (3) | 0.060 (3)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
V1 | 0.0065 (10) | 0.0213 (12) | 0.0097 (12) | 0.000 | 0.000 | 0.0014 (10) |
V2 | 0.0065 (10) | 0.0213 (12) | 0.0097 (12) | 0.000 | 0.000 | 0.0014 (10) |
V2A | 0.0065 (10) | 0.0213 (12) | 0.0097 (12) | 0.000 | 0.000 | 0.0014 (10) |
Si1 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | −0.0032 (10) | −0.0041 (7) | 0.0116 (10) |
Si2 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | 0.0032 (10) | 0.0041 (7) | 0.0116 (10) |
Si3 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | 0.0032 (10) | 0.0041 (7) | 0.0116 (10) |
Si4 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | −0.0032 (10) | −0.0041 (7) | 0.0116 (10) |
Si5 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | 0.0032 (10) | 0.0041 (7) | −0.0116 (10) |
Si6 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | 0.0032 (10) | −0.0041 (7) | −0.0116 (10) |
Si7 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | −0.0032 (10) | 0.0041 (7) | −0.0116 (10) |
Si8 | 0.0111 (8) | 0.0173 (8) | 0.0173 (10) | 0.0032 (10) | −0.0041 (7) | −0.0116 (10) |
Na11 | 0.019 (3) | 0.024 (3) | 0.047 (4) | 0.000 | 0.000 | 0.000 |
Na12 | 0.019 (3) | 0.024 (3) | 0.047 (4) | 0.000 | 0.000 | 0.000 |
Na21 | 0.038 (5) | 0.051 (4) | 0.028 (6) | 0.000 | 0.000 | −0.004 (5) |
Na22 | 0.038 (5) | 0.051 (4) | 0.028 (6) | 0.000 | 0.000 | −0.004 (5) |
Na2A | 0.038 (5) | 0.051 (4) | 0.028 (6) | 0.000 | 0.000 | −0.009 (19) |
O11 | 0.012 (2) | 0.025 (2) | 0.014 (2) | −0.008 (3) | −0.0035 (18) | −0.008 (3) |
O12 | 0.012 (2) | 0.025 (2) | 0.014 (2) | 0.008 (3) | 0.0035 (18) | −0.008 (3) |
O13 | 0.012 (2) | 0.025 (2) | 0.014 (2) | −0.008 (3) | 0.0035 (18) | 0.008 (3) |
O14 | 0.012 (2) | 0.025 (2) | 0.014 (2) | 0.008 (3) | −0.0035 (18) | 0.008 (3) |
O15 | 0.012 (2) | 0.025 (2) | 0.014 (2) | 0.008 (3) | −0.0035 (18) | 0.008 (3) |
O16 | 0.012 (2) | 0.025 (2) | 0.014 (2) | −0.008 (3) | 0.0035 (18) | 0.008 (3) |
O17 | 0.012 (2) | 0.025 (2) | 0.014 (2) | 0.008 (3) | 0.0035 (18) | −0.008 (3) |
O18 | 0.012 (2) | 0.025 (2) | 0.014 (2) | −0.008 (3) | −0.0035 (18) | −0.008 (3) |
O21 | 0.025 (3) | 0.020 (3) | 0.010 (4) | 0.000 | 0.008 (3) | 0.000 |
O22 | 0.025 (3) | 0.020 (3) | 0.010 (4) | 0.000 | 0.008 (3) | 0.000 |
O23 | 0.025 (3) | 0.020 (3) | 0.010 (4) | 0.000 | −0.008 (3) | 0.000 |
O24 | 0.025 (3) | 0.020 (3) | 0.010 (4) | 0.000 | −0.008 (3) | 0.000 |
O31 | 0.037 (4) | 0.014 (3) | 0.020 (5) | 0.000 | 0.014 (3) | 0.000 |
O32 | 0.037 (4) | 0.014 (3) | 0.020 (5) | 0.000 | −0.014 (3) | 0.000 |
O33 | 0.037 (4) | 0.014 (3) | 0.020 (5) | 0.000 | 0.014 (3) | 0.000 |
O34 | 0.037 (4) | 0.014 (3) | 0.020 (5) | 0.000 | −0.014 (3) | 0.000 |
O41 | 0.009 (3) | 0.023 (4) | 0.019 (4) | 0.000 | 0.000 | 0.008 (5) |
O42 | 0.009 (3) | 0.023 (4) | 0.019 (4) | 0.000 | 0.000 | 0.008 (5) |
O43 | 0.009 (3) | 0.023 (4) | 0.019 (4) | 0.000 | 0.000 | −0.008 (5) |
O44 | 0.009 (3) | 0.023 (4) | 0.019 (4) | 0.000 | 0.000 | −0.008 (5) |
OV1 | 0.060 (14) | 0.002 (7) | 0.016 (9) | 0.000 | 0.000 | 0.000 |
OV2 | 0.026 (12) | 0.10 (2) | 0.028 (13) | 0.000 | 0.000 | 0.000 |
Geometric parameters (Å, º) top
V1—OV1 | 1.592 (19) | Si5—O44 | 1.636 (17) |
V1—O17 | 1.924 (18) | Si5—O31 | 1.649 (16) |
V1—O12i | 1.961 (18) | Si5—Na12iv | 3.393 (16) |
V1—O18 | 2.030 (18) | Si6—O14 | 1.582 (16) |
V1—O11i | 2.042 (19) | Si6—O32 | 1.621 (17) |
V1—Na11ii | 3.123 (15) | Si6—O24 | 1.641 (17) |
V1—Na21 | 3.336 (15) | Si6—O44 | 1.650 (17) |
V1—Na11 | 3.360 (15) | Si6—Na12iii | 3.406 (16) |
V2—V2A | 1.174 (14) | Si7—O16 | 1.635 (16) |
V2—OV2iii | 1.75 (3) | Si7—O21ix | 1.661 (17) |
V2—O16iii | 1.86 (2) | Si7—O33viii | 1.686 (16) |
V2—O14 | 1.961 (19) | Si7—O41 | 1.723 (16) |
V2—O13 | 2.033 (18) | Si7—Na12 | 3.274 (17) |
V2—O15iii | 2.060 (19) | Si8—O34 | 1.580 (17) |
V2—Na2A | 3.08 (4) | Si8—O15 | 1.604 (17) |
V2—Na12iv | 3.184 (16) | Si8—O41 | 1.629 (16) |
V2—Na12iii | 3.313 (16) | Si8—O24 | 1.632 (17) |
V2—Na22 | 3.59 (3) | Si8—Na2Ax | 3.22 (4) |
V2—Na2Aiii | 3.61 (5) | Si8—Na12iii | 3.437 (16) |
V2A—O15iii | 1.92 (2) | Na11—O12i | 2.34 (2) |
V2A—O16iii | 1.93 (2) | Na11—OW1 | 2.45 (4) |
V2A—O13 | 1.94 (2) | Na11—O18 | 2.45 (2) |
V2A—OV2 | 1.95 (3) | Na11—O17xi | 2.45 (2) |
V2A—O14 | 2.15 (2) | Na11—O11v | 2.54 (2) |
V2A—Na2A | 2.16 (4) | Na11—Na21xi | 3.36 (2) |
V2A—Na22 | 2.70 (3) | Na12—O16 | 2.22 (2) |
V2A—Na12iii | 2.982 (18) | Na12—O13ix | 2.36 (2) |
V2A—Na12iv | 3.467 (18) | Na12—OW2 | 2.36 (4) |
Si1—O42 | 1.548 (16) | Na12—O14x | 2.39 (2) |
Si1—O34 | 1.572 (17) | Na12—O15x | 2.45 (2) |
Si1—O18 | 1.580 (16) | Na12—Na2Aix | 3.29 (5) |
Si1—O23v | 1.583 (17) | Na12—Na22ix | 3.38 (4) |
Si1—Si2 | 2.837 (10) | Na21—OV1xi | 2.39 (2) |
Si1—Na11 | 3.444 (16) | Na21—O11i | 2.43 (2) |
Si2—O42 | 1.615 (15) | Na21—OW1ii | 2.45 (4) |
Si2—O22vi | 1.624 (17) | Na21—OW3 | 2.47 (4) |
Si2—O17 | 1.625 (16) | Na21—OW5 | 2.52 (4) |
Si2—O33 | 1.652 (16) | Na21—O17 | 2.55 (3) |
Si2—Na11ii | 3.470 (16) | Na22—Na2A | 0.59 (4) |
Si3—O12 | 1.578 (16) | Na22—OW4 | 2.19 (4) |
Si3—O22 | 1.587 (17) | Na22—OW6 | 2.37 (5) |
Si3—O43 | 1.607 (17) | Na22—OV2 | 2.42 (4) |
Si3—O31 | 1.627 (16) | Na22—O15iii | 2.49 (3) |
Si3—Na11vii | 3.375 (16) | Na22—OW2iv | 2.68 (4) |
Si4—O11 | 1.587 (16) | Na22—O13 | 2.70 (4) |
Si4—O32viii | 1.593 (17) | Na2A—OV2 | 2.03 (5) |
Si4—O23 | 1.599 (16) | Na2A—O15iii | 2.05 (5) |
Si4—O43 | 1.613 (16) | Na2A—O13 | 2.47 (5) |
Si4—Na11viii | 3.453 (16) | Na2A—OW6 | 2.51 (6) |
Si5—O13 | 1.590 (16) | Na2A—OW4 | 2.64 (5) |
Si5—O21 | 1.618 (17) | Na2A—OW2iv | 2.99 (6) |
| | | |
OV1—V1—O17 | 106.0 (11) | O16—Na12—OW2 | 140.3 (11) |
OV1—V1—O12i | 104.1 (11) | O13ix—Na12—OW2 | 96.7 (11) |
O17—V1—O12i | 149.9 (10) | O16—Na12—O14x | 66.4 (7) |
OV1—V1—O18 | 102.0 (11) | O13ix—Na12—O14x | 136.7 (10) |
O17—V1—O18 | 90.3 (8) | OW2—Na12—O14x | 122.7 (11) |
O12i—V1—O18 | 84.8 (7) | O16—Na12—O15x | 131.2 (9) |
OV1—V1—O11i | 106.3 (12) | O13ix—Na12—O15x | 63.8 (6) |
O17—V1—O11i | 83.4 (7) | OW2—Na12—O15x | 87.9 (10) |
O12i—V1—O11i | 86.8 (8) | O14x—Na12—O15x | 97.6 (8) |
O18—V1—O11i | 151.7 (8) | O16—Na12—V2Ax | 40.3 (5) |
OV1—V1—Na11ii | 75.8 (8) | O13ix—Na12—V2Ax | 94.9 (8) |
O17—V1—Na11ii | 51.7 (7) | OW2—Na12—V2Ax | 168.1 (11) |
O12i—V1—Na11ii | 137.5 (6) | O14x—Na12—V2Ax | 45.5 (5) |
O18—V1—Na11ii | 137.4 (6) | O15x—Na12—V2Ax | 94.9 (7) |
O11i—V1—Na11ii | 54.2 (6) | O16—Na12—V2ix | 95.1 (7) |
OV1—V1—Na21 | 138.2 (8) | O13ix—Na12—V2ix | 39.6 (5) |
O17—V1—Na21 | 49.5 (6) | OW2—Na12—V2ix | 118.0 (9) |
O12i—V1—Na21 | 104.7 (7) | O14x—Na12—V2ix | 100.4 (7) |
O18—V1—Na21 | 110.2 (6) | O15x—Na12—V2ix | 40.3 (5) |
O11i—V1—Na21 | 46.5 (6) | V2Ax—Na12—V2ix | 70.3 (4) |
Na11ii—V1—Na21 | 62.5 (4) | O16—Na12—Si7 | 26.8 (5) |
OV1—V1—Na11 | 123.2 (7) | O13ix—Na12—Si7 | 78.3 (6) |
O17—V1—Na11 | 117.1 (7) | OW2—Na12—Si7 | 122.2 (10) |
O12i—V1—Na11 | 43.0 (6) | O14x—Na12—Si7 | 93.0 (6) |
O18—V1—Na11 | 46.3 (6) | O15x—Na12—Si7 | 134.5 (7) |
O11i—V1—Na11 | 113.4 (6) | V2Ax—Na12—Si7 | 62.9 (4) |
Na11ii—V1—Na11 | 161.0 (3) | V2ix—Na12—Si7 | 94.3 (5) |
Na21—V1—Na11 | 98.5 (4) | O16—Na12—Na2Aix | 144.1 (11) |
V2A—V2—OV2iii | 163.2 (11) | O13ix—Na12—Na2Aix | 48.5 (9) |
V2A—V2—O16iii | 75.0 (9) | OW2—Na12—Na2Aix | 61.3 (11) |
OV2iii—V2—O16iii | 115.6 (11) | O14x—Na12—Na2Aix | 134.4 (10) |
V2A—V2—O14 | 82.3 (9) | O15x—Na12—Na2Aix | 38.3 (8) |
OV2iii—V2—O14 | 111.1 (12) | V2Ax—Na12—Na2Aix | 126.4 (9) |
O16iii—V2—O14 | 82.7 (8) | V2ix—Na12—Na2Aix | 56.7 (7) |
V2A—V2—O13 | 68.4 (9) | Si7—Na12—Na2Aix | 124.6 (9) |
OV2iii—V2—O13 | 99.9 (11) | O16—Na12—V2x | 32.4 (5) |
O16iii—V2—O13 | 143.4 (9) | O13ix—Na12—V2x | 112.2 (8) |
O14—V2—O13 | 92.7 (8) | OW2—Na12—V2x | 149.7 (10) |
V2A—V2—O15iii | 66.5 (9) | O14x—Na12—V2x | 35.8 (5) |
OV2iii—V2—O15iii | 99.7 (11) | O15x—Na12—V2x | 112.2 (7) |
O16iii—V2—O15iii | 88.5 (8) | V2Ax—Na12—V2x | 20.6 (3) |
O14—V2—O15iii | 148.8 (10) | V2ix—Na12—V2x | 91.0 (4) |
O13—V2—O15iii | 76.8 (7) | Si7—Na12—V2x | 59.1 (3) |
V2A—V2—Na2A | 31.3 (11) | Na2Aix—Na12—V2x | 146.7 (9) |
OV2iii—V2—Na2A | 132.0 (12) | O16—Na12—Na22ix | 147.2 (9) |
O16iii—V2—Na2A | 94.0 (11) | O13ix—Na12—Na22ix | 52.4 (7) |
O14—V2—Na2A | 109.3 (11) | OW2—Na12—Na22ix | 52.1 (9) |
O13—V2—Na2A | 53.2 (10) | O14x—Na12—Na22ix | 140.6 (9) |
O15iii—V2—Na2A | 41.3 (10) | O15x—Na12—Na22ix | 47.4 (7) |
V2A—V2—Na12iv | 93.9 (6) | V2Ax—Na12—Na22ix | 136.2 (7) |
OV2iii—V2—Na12iv | 69.4 (9) | V2ix—Na12—Na22ix | 66.1 (5) |
O16iii—V2—Na12iv | 137.4 (7) | Si7—Na12—Na22ix | 123.7 (7) |
O14—V2—Na12iv | 137.4 (6) | Na2Aix—Na12—Na22ix | 10.1 (7) |
O13—V2—Na12iv | 47.8 (6) | V2x—Na12—Na22ix | 156.7 (7) |
O15iii—V2—Na12iv | 50.2 (7) | O16—Na12—Si5ix | 78.4 (6) |
Na2A—V2—Na12iv | 63.4 (9) | O13ix—Na12—Si5ix | 24.7 (4) |
V2A—V2—Na12iii | 63.6 (6) | OW2—Na12—Si5ix | 98.9 (10) |
OV2iii—V2—Na12iii | 133.0 (9) | O14x—Na12—Si5ix | 138.1 (7) |
O16iii—V2—Na12iii | 39.7 (6) | O15x—Na12—Si5ix | 88.5 (6) |
O14—V2—Na12iii | 45.4 (7) | V2Ax—Na12—Si5ix | 92.8 (5) |
O13—V2—Na12iii | 118.1 (7) | V2ix—Na12—Si5ix | 59.6 (3) |
O15iii—V2—Na12iii | 114.4 (7) | Si7—Na12—Si5ix | 56.3 (3) |
Na2A—V2—Na12iii | 94.2 (10) | Na2Aix—Na12—Si5ix | 68.3 (8) |
Na12iv—V2—Na12iii | 157.5 (4) | V2x—Na12—Si5ix | 103.9 (5) |
V2A—V2—Na22 | 34.5 (7) | Na22ix—Na12—Si5ix | 68.9 (6) |
OV2iii—V2—Na22 | 128.8 (11) | OV1xi—Na21—O11i | 87.3 (9) |
O16iii—V2—Na22 | 99.2 (8) | OV1xi—Na21—OW1ii | 169.5 (12) |
O14—V2—Na22 | 109.4 (8) | O11i—Na21—OW1ii | 82.6 (11) |
O13—V2—Na22 | 48.2 (7) | OV1xi—Na21—OW3 | 84.7 (11) |
O15iii—V2—Na22 | 42.6 (7) | O11i—Na21—OW3 | 114.8 (11) |
Na2A—V2—Na22 | 5.2 (11) | OW1ii—Na21—OW3 | 101.9 (12) |
Na12iv—V2—Na22 | 59.6 (6) | OV1xi—Na21—OW5 | 89.0 (12) |
Na12iii—V2—Na22 | 97.9 (6) | O11i—Na21—OW5 | 164.1 (12) |
V2A—V2—Na2Aiii | 175.1 (10) | OW1ii—Na21—OW5 | 100.0 (12) |
OV2iii—V2—Na2Aiii | 18.7 (11) | OW3—Na21—OW5 | 80.2 (12) |
O16iii—V2—Na2Aiii | 107.6 (9) | OV1xi—Na21—O17 | 86.0 (9) |
O14—V2—Na2Aiii | 93.9 (9) | O11i—Na21—O17 | 64.0 (6) |
O13—V2—Na2Aiii | 108.9 (9) | OW1ii—Na21—O17 | 87.2 (11) |
O15iii—V2—Na2Aiii | 117.3 (9) | OW3—Na21—O17 | 170.7 (11) |
Na2A—V2—Na2Aiii | 150.2 (12) | OW5—Na21—O17 | 100.4 (11) |
Na12iv—V2—Na2Aiii | 86.9 (7) | OV1xi—Na21—V1 | 67.9 (6) |
Na12iii—V2—Na2Aiii | 115.6 (7) | O11i—Na21—V1 | 37.5 (5) |
Na22—V2—Na2Aiii | 146.5 (7) | OW1ii—Na21—V1 | 102.1 (10) |
V2—V2A—O15iii | 79.4 (9) | OW3—Na21—V1 | 138.7 (10) |
V2—V2A—O16iii | 69.0 (8) | OW5—Na21—V1 | 127.4 (10) |
O15iii—V2A—O16iii | 90.8 (9) | O17—Na21—V1 | 35.0 (4) |
V2—V2A—O13 | 77.3 (10) | OV1xi—Na21—Na11ii | 123.5 (7) |
O15iii—V2A—O13 | 82.4 (9) | O11i—Na21—Na11ii | 48.9 (6) |
O16iii—V2A—O13 | 146.3 (11) | OW1ii—Na21—Na11ii | 46.7 (9) |
V2—V2A—OV2 | 168.6 (11) | OW3—Na21—Na11ii | 140.3 (10) |
O15iii—V2A—OV2 | 109.0 (11) | OW5—Na21—Na11ii | 122.8 (11) |
O16iii—V2A—OV2 | 102.6 (11) | O17—Na21—Na11ii | 46.6 (6) |
O13—V2A—OV2 | 110.9 (11) | V1—Na21—Na11ii | 55.6 (4) |
V2—V2A—O14 | 64.9 (8) | Na2A—Na22—OW4 | 135 (7) |
O15iii—V2A—O14 | 144.3 (10) | Na2A—Na22—OW6 | 97 (6) |
O16iii—V2A—O14 | 76.5 (7) | OW4—Na22—OW6 | 93.0 (16) |
O13—V2A—O14 | 90.0 (9) | Na2A—Na22—OV2 | 44 (6) |
OV2—V2A—O14 | 106.3 (11) | OW4—Na22—OV2 | 92.3 (15) |
V2—V2A—Na2A | 132.3 (16) | OW6—Na22—OV2 | 90.2 (15) |
O15iii—V2A—Na2A | 59.8 (14) | Na2A—Na22—O15iii | 36 (6) |
O16iii—V2A—Na2A | 129.9 (14) | OW4—Na22—O15iii | 163.3 (16) |
O13—V2A—Na2A | 73.9 (14) | OW6—Na22—O15iii | 101.8 (14) |
OV2—V2A—Na2A | 58.9 (15) | OV2—Na22—O15iii | 79.9 (11) |
O14—V2A—Na2A | 149.9 (14) | Na2A—Na22—OW2iv | 116 (7) |
V2—V2A—Na22 | 131.3 (10) | OW4—Na22—OW2iv | 103.6 (15) |
O15iii—V2A—Na22 | 62.7 (9) | OW6—Na22—OW2iv | 105.6 (15) |
O16iii—V2A—Na22 | 135.7 (10) | OV2—Na22—OW2iv | 156.7 (16) |
O13—V2A—Na22 | 68.8 (9) | O15iii—Na22—OW2iv | 80.2 (13) |
OV2—V2A—Na22 | 60.0 (11) | Na2A—Na22—O13 | 62 (6) |
O14—V2A—Na22 | 144.9 (9) | OW4—Na22—O13 | 105.5 (14) |
Na2A—V2A—Na22 | 5.8 (15) | OW6—Na22—O13 | 158.0 (14) |
V2—V2A—Na12iii | 95.8 (6) | OV2—Na22—O13 | 77.4 (11) |
O15iii—V2A—Na12iii | 136.1 (8) | O15iii—Na22—O13 | 58.5 (8) |
O16iii—V2A—Na12iii | 48.2 (7) | OW2iv—Na22—O13 | 81.9 (13) |
O13—V2A—Na12iii | 139.6 (8) | Na2A—Na22—V2A | 22 (6) |
OV2—V2A—Na12iii | 72.9 (9) | OW4—Na22—V2A | 122.3 (15) |
O14—V2A—Na12iii | 52.4 (6) | OW6—Na22—V2A | 117.4 (13) |
Na2A—V2A—Na12iii | 130.4 (15) | OV2—Na22—V2A | 44.5 (8) |
Na22—V2A—Na12iii | 132.6 (8) | O15iii—Na22—V2A | 43.2 (7) |
V2—V2A—Na12iv | 66.3 (6) | OW2iv—Na22—V2A | 112.3 (13) |
O15iii—V2A—Na12iv | 43.1 (7) | O13—Na22—V2A | 42.1 (6) |
O16iii—V2A—Na12iv | 119.6 (8) | Na2A—Na22—Na12iv | 76 (7) |
O13—V2A—Na12iv | 40.6 (6) | OW4—Na22—Na12iv | 126.8 (15) |
OV2—V2A—Na12iv | 125.0 (9) | OW6—Na22—Na12iv | 130.7 (14) |
O14—V2A—Na12iv | 116.1 (7) | OV2—Na22—Na12iv | 112.8 (12) |
Na2A—V2A—Na12iv | 67.0 (14) | O15iii—Na22—Na12iv | 46.2 (8) |
Na22—V2A—Na12iv | 65.1 (8) | OW2iv—Na22—Na12iv | 44.0 (9) |
Na12iii—V2A—Na12iv | 162.1 (5) | O13—Na22—Na12iv | 43.9 (7) |
O42—Si1—O34 | 99.9 (10) | V2A—Na22—Na12iv | 68.4 (8) |
O42—Si1—O18 | 108.8 (10) | Na2A—Na22—V2 | 28 (6) |
O34—Si1—O18 | 108.5 (11) | OW4—Na22—V2 | 129.8 (14) |
O42—Si1—O23v | 113.0 (11) | OW6—Na22—V2 | 123.9 (12) |
O34—Si1—O23v | 112.9 (11) | OV2—Na22—V2 | 58.7 (9) |
O18—Si1—O23v | 112.9 (11) | O15iii—Na22—V2 | 34.0 (5) |
O42—Si1—Si2 | 26.8 (6) | OW2iv—Na22—V2 | 98.1 (11) |
O34—Si1—Si2 | 123.3 (8) | O13—Na22—V2 | 34.2 (5) |
O18—Si1—Si2 | 87.5 (8) | V2A—Na22—V2 | 14.2 (4) |
O23v—Si1—Si2 | 109.1 (8) | Na12iv—Na22—V2 | 54.3 (5) |
O42—Si1—Na11 | 142.5 (7) | Na22—Na2A—OV2 | 125 (8) |
O34—Si1—Na11 | 109.0 (9) | Na22—Na2A—O15iii | 134 (8) |
O18—Si1—Na11 | 39.7 (8) | OV2—Na2A—O15iii | 101.4 (19) |
O23v—Si1—Na11 | 77.3 (8) | Na22—Na2A—V2A | 153 (7) |
Si2—Si1—Na11 | 116.0 (4) | OV2—Na2A—V2A | 55.4 (13) |
O42—Si2—O22vi | 106.2 (10) | O15iii—Na2A—V2A | 54.3 (12) |
O42—Si2—O17 | 113.6 (10) | Na22—Na2A—O13 | 106 (7) |
O22vi—Si2—O17 | 112.0 (12) | OV2—Na2A—O13 | 90.2 (17) |
O42—Si2—O33 | 108.6 (10) | O15iii—Na2A—O13 | 67.7 (14) |
O22vi—Si2—O33 | 105.7 (9) | V2A—Na2A—O13 | 48.9 (10) |
O17—Si2—O33 | 110.3 (11) | Na22—Na2A—OW6 | 70 (6) |
O42—Si2—Si1 | 25.6 (6) | OV2—Na2A—OW6 | 96 (2) |
O22vi—Si2—Si1 | 124.7 (8) | O15iii—Na2A—OW6 | 112 (2) |
O17—Si2—Si1 | 88.9 (8) | V2A—Na2A—OW6 | 136 (2) |
O33—Si2—Si1 | 114.0 (8) | O13—Na2A—OW6 | 174 (2) |
O42—Si2—Na11ii | 140.4 (7) | Na22—Na2A—OW4 | 36 (6) |
O22vi—Si2—Na11ii | 74.8 (8) | OV2—Na2A—OW4 | 90 (2) |
O17—Si2—Na11ii | 39.7 (9) | O15iii—Na2A—OW4 | 163 (3) |
O33—Si2—Na11ii | 109.0 (8) | V2A—Na2A—OW4 | 126 (2) |
Si1—Si2—Na11ii | 122.3 (4) | O13—Na2A—OW4 | 99.4 (17) |
O12—Si3—O22 | 111.8 (12) | OW6—Na2A—OW4 | 79.9 (15) |
O12—Si3—O43 | 113.1 (10) | Na22—Na2A—OW2iv | 54 (7) |
O22—Si3—O43 | 106.1 (11) | OV2—Na2A—OW2iv | 168 (2) |
O12—Si3—O31 | 113.4 (11) | O15iii—Na2A—OW2iv | 80.7 (18) |
O22—Si3—O31 | 106.2 (10) | V2A—Na2A—OW2iv | 120 (2) |
O43—Si3—O31 | 105.6 (10) | O13—Na2A—OW2iv | 79.8 (16) |
O12—Si3—Na11vii | 38.1 (8) | OW6—Na2A—OW2iv | 93.8 (16) |
O22—Si3—Na11vii | 78.2 (8) | OW4—Na2A—OW2iv | 85.8 (15) |
O43—Si3—Na11vii | 143.0 (8) | Na22—Na2A—V2 | 147 (7) |
O31—Si3—Na11vii | 108.3 (9) | OV2—Na2A—V2 | 71.8 (13) |
O11—Si4—O32viii | 108.0 (12) | O15iii—Na2A—V2 | 41.7 (9) |
O11—Si4—O23 | 115.7 (11) | V2A—Na2A—V2 | 16.4 (6) |
O32viii—Si4—O23 | 111.8 (11) | O13—Na2A—V2 | 41.2 (7) |
O11—Si4—O43 | 109.8 (10) | OW6—Na2A—V2 | 142.1 (18) |
O32viii—Si4—O43 | 106.0 (11) | OW4—Na2A—V2 | 133.9 (17) |
O23—Si4—O43 | 105.0 (10) | OW2iv—Na2A—V2 | 103.7 (16) |
O11—Si4—Na11viii | 43.3 (8) | Na22—Na2A—Si8iii | 126 (7) |
O32viii—Si4—Na11viii | 108.0 (9) | OV2—Na2A—Si8iii | 105.4 (17) |
O23—Si4—Na11viii | 76.9 (8) | O15iii—Na2A—Si8iii | 24.6 (8) |
O43—Si4—Na11viii | 142.2 (8) | V2A—Na2A—Si8iii | 72.5 (12) |
O13—Si5—O21 | 110.5 (11) | O13—Na2A—Si8iii | 92.1 (14) |
O13—Si5—O44 | 113.2 (10) | OW6—Na2A—Si8iii | 87.0 (15) |
O21—Si5—O44 | 106.9 (10) | OW4—Na2A—Si8iii | 161.0 (17) |
O13—Si5—O31 | 113.4 (12) | OW2iv—Na2A—Si8iii | 81.3 (13) |
O21—Si5—O31 | 104.3 (10) | V2—Na2A—Si8iii | 63.5 (8) |
O44—Si5—O31 | 107.9 (10) | Na22—Na2A—Na12iv | 94 (7) |
O13—Si5—Na12iv | 38.3 (8) | OV2—Na2A—Na12iv | 130.3 (19) |
O21—Si5—Na12iv | 76.0 (8) | O15iii—Na2A—Na12iv | 47.9 (12) |
O44—Si5—Na12iv | 141.8 (8) | V2A—Na2A—Na12iv | 75.8 (14) |
O31—Si5—Na12iv | 108.1 (9) | O13—Na2A—Na12iv | 45.6 (10) |
O14—Si6—O32 | 108.3 (11) | OW6—Na2A—Na12iv | 128.9 (19) |
O14—Si6—O24 | 116.4 (11) | OW4—Na2A—Na12iv | 114.9 (17) |
O32—Si6—O24 | 109.1 (10) | OW2iv—Na2A—Na12iv | 43.8 (10) |
O14—Si6—O44 | 112.9 (10) | V2—Na2A—Na12iv | 59.9 (9) |
O32—Si6—O44 | 107.1 (11) | Si8iii—Na2A—Na12iv | 63.7 (9) |
O24—Si6—O44 | 102.7 (10) | Na22—Na2A—V2x | 113 (7) |
O14—Si6—Na12iii | 38.7 (8) | OV2—Na2A—V2x | 16.0 (11) |
O32—Si6—Na12iii | 108.2 (9) | O15iii—Na2A—V2x | 112.4 (17) |
O24—Si6—Na12iii | 81.1 (8) | V2A—Na2A—V2x | 71.0 (13) |
O44—Si6—Na12iii | 140.9 (8) | O13—Na2A—V2x | 105.0 (14) |
O16—Si7—O21ix | 110.5 (11) | OW6—Na2A—V2x | 81.2 (15) |
O16—Si7—O33viii | 115.4 (10) | OW4—Na2A—V2x | 81.4 (14) |
O21ix—Si7—O33viii | 105.9 (9) | OW2iv—Na2A—V2x | 166.9 (16) |
O16—Si7—O41 | 109.4 (9) | V2—Na2A—V2x | 87.3 (10) |
O21ix—Si7—O41 | 100.7 (9) | Si8iii—Na2A—V2x | 110.3 (12) |
O33viii—Si7—O41 | 113.8 (9) | Na12iv—Na2A—V2x | 146.4 (13) |
O16—Si7—Na12 | 37.9 (8) | Si4—O11—V1vii | 128.1 (12) |
O21ix—Si7—Na12 | 79.4 (8) | Si4—O11—Na21vii | 132.9 (12) |
O33viii—Si7—Na12 | 105.9 (8) | V1vii—O11—Na21vii | 96.0 (7) |
O41—Si7—Na12 | 138.3 (7) | Si4—O11—Na11viii | 111.4 (11) |
O34—Si8—O15 | 112.4 (11) | V1vii—O11—Na11viii | 85.2 (7) |
O34—Si8—O41 | 105.6 (10) | Na21vii—O11—Na11viii | 84.8 (8) |
O15—Si8—O41 | 110.2 (10) | Si3—O12—V1vii | 135.5 (12) |
O34—Si8—O24 | 110.8 (10) | Si3—O12—Na11vii | 117.4 (12) |
O15—Si8—O24 | 114.3 (11) | V1vii—O12—Na11vii | 102.3 (8) |
O41—Si8—O24 | 102.8 (10) | Si5—O13—V2A | 134.3 (13) |
O34—Si8—Na2Ax | 82.2 (11) | Si5—O13—V2 | 128.8 (12) |
O15—Si8—Na2Ax | 32.0 (11) | V2A—O13—V2 | 34.3 (5) |
O41—Si8—Na2Ax | 110.7 (11) | Si5—O13—Na12iv | 117.1 (11) |
O24—Si8—Na2Ax | 139.3 (12) | V2A—O13—Na12iv | 107.2 (8) |
O34—Si8—Na12iii | 108.3 (9) | V2—O13—Na12iv | 92.6 (8) |
O15—Si8—Na12iii | 40.4 (9) | Si5—O13—Na2A | 133.9 (15) |
O41—Si8—Na12iii | 142.2 (7) | V2A—O13—Na2A | 57.2 (11) |
O24—Si8—Na12iii | 80.2 (8) | V2—O13—Na2A | 85.5 (11) |
Na2Ax—Si8—Na12iii | 59.1 (9) | Na12iv—O13—Na2A | 85.8 (13) |
O12i—Na11—OW1 | 142.5 (11) | Si5—O13—Na22 | 124.7 (12) |
O12i—Na11—O18 | 68.4 (7) | V2A—O13—Na22 | 69.1 (9) |
OW1—Na11—O18 | 128.9 (11) | V2—O13—Na22 | 97.6 (9) |
O12i—Na11—O17xi | 95.5 (8) | Na12iv—O13—Na22 | 83.7 (9) |
OW1—Na11—O17xi | 89.4 (10) | Na2A—O13—Na22 | 12.2 (10) |
O18—Na11—O17xi | 135.9 (9) | Si6—O14—V2 | 133.8 (12) |
O12i—Na11—O11v | 134.6 (10) | Si6—O14—V2A | 121.4 (11) |
OW1—Na11—O11v | 80.4 (10) | V2—O14—V2A | 32.8 (5) |
O18—Na11—O11v | 97.8 (8) | Si6—O14—Na12iii | 116.8 (11) |
O17xi—Na11—O11v | 63.8 (6) | V2—O14—Na12iii | 98.8 (8) |
O12i—Na11—V1xi | 97.9 (7) | V2A—O14—Na12iii | 82.1 (8) |
OW1—Na11—V1xi | 108.3 (9) | Si8—O15—V2Ax | 138.2 (13) |
O18—Na11—V1xi | 101.5 (6) | Si8—O15—Na2Ax | 123.4 (16) |
O17xi—Na11—V1xi | 38.0 (5) | V2Ax—O15—Na2Ax | 65.9 (14) |
O11v—Na11—V1xi | 40.6 (5) | Si8—O15—V2x | 129.0 (11) |
O12i—Na11—Na21xi | 143.2 (8) | V2Ax—O15—V2x | 34.1 (5) |
OW1—Na11—Na21xi | 46.7 (8) | Na2Ax—O15—V2x | 97.0 (14) |
O18—Na11—Na21xi | 141.8 (7) | Si8—O15—Na12iii | 114.5 (12) |
O17xi—Na11—Na21xi | 49.1 (6) | V2Ax—O15—Na12iii | 104.4 (9) |
O11v—Na11—Na21xi | 46.2 (6) | Na2Ax—O15—Na12iii | 93.8 (15) |
V1xi—Na11—Na21xi | 61.8 (3) | V2x—O15—Na12iii | 89.5 (8) |
O12i—Na11—V1 | 34.8 (4) | Si8—O15—Na22x | 121.4 (12) |
OW1—Na11—V1 | 160.3 (10) | V2Ax—O15—Na22x | 74.1 (9) |
O18—Na11—V1 | 36.8 (5) | Na2Ax—O15—Na22x | 9.8 (15) |
O17xi—Na11—V1 | 109.8 (7) | V2x—O15—Na22x | 103.5 (10) |
O11v—Na11—V1 | 111.6 (7) | Na12iii—O15—Na22x | 86.4 (10) |
V1xi—Na11—V1 | 90.3 (4) | Si7—O16—V2x | 136.3 (12) |
Na21xi—Na11—V1 | 152.1 (5) | Si7—O16—V2Ax | 133.4 (11) |
O12i—Na11—Si3i | 24.5 (5) | V2x—O16—V2Ax | 36.0 (5) |
OW1—Na11—Si3i | 125.1 (9) | Si7—O16—Na12 | 115.3 (12) |
O18—Na11—Si3i | 92.9 (6) | V2x—O16—Na12 | 107.9 (8) |
O17xi—Na11—Si3i | 77.3 (6) | V2Ax—O16—Na12 | 91.5 (8) |
O11v—Na11—Si3i | 133.7 (7) | Si2—O17—V1 | 127.8 (11) |
V1xi—Na11—Si3i | 93.1 (4) | Si2—O17—Na11ii | 115.2 (12) |
Na21xi—Na11—Si3i | 120.6 (5) | V1—O17—Na11ii | 90.3 (8) |
V1—Na11—Si3i | 58.3 (3) | Si2—O17—Na21 | 129.9 (11) |
O12i—Na11—Si1 | 92.1 (6) | V1—O17—Na21 | 95.5 (8) |
OW1—Na11—Si1 | 112.2 (9) | Na11ii—O17—Na21 | 84.3 (7) |
O18—Na11—Si1 | 24.3 (4) | Si1—O18—V1 | 134.1 (11) |
O17xi—Na11—Si1 | 131.3 (7) | Si1—O18—Na11 | 116.0 (11) |
O11v—Na11—Si1 | 77.0 (6) | V1—O18—Na11 | 96.9 (7) |
V1xi—Na11—Si1 | 93.3 (4) | Si5—O21—Si7iv | 147.5 (13) |
Na21xi—Na11—Si1 | 117.9 (5) | Si3—O22—Si2xii | 151.8 (15) |
V1—Na11—Si1 | 58.5 (3) | Si1viii—O23—Si4 | 151.5 (14) |
Si3i—Na11—Si1 | 116.4 (4) | Si8—O24—Si6 | 143.9 (13) |
O12i—Na11—Si4v | 132.6 (7) | Si3—O31—Si5 | 136.0 (13) |
OW1—Na11—Si4v | 84.5 (9) | Si4v—O32—Si6 | 137.5 (14) |
O18—Na11—Si4v | 76.0 (6) | Si2—O33—Si7v | 134.3 (12) |
O17xi—Na11—Si4v | 88.7 (6) | Si1—O34—Si8 | 136.8 (13) |
O11v—Na11—Si4v | 25.3 (4) | Si8—O41—Si7 | 129.4 (11) |
V1xi—Na11—Si4v | 59.4 (3) | Si1—O42—Si2 | 127.6 (11) |
Na21xi—Na11—Si4v | 65.8 (4) | Si3—O43—Si4 | 128.9 (12) |
V1—Na11—Si4v | 99.9 (4) | Si5—O44—Si6 | 128.4 (11) |
Si3i—Na11—Si4v | 146.4 (5) | V1—OV1—Na21ii | 152.3 (12) |
Si1—Na11—Si4v | 53.1 (3) | V2x—OV2—V2A | 147.3 (15) |
O12i—Na11—Si2xi | 75.6 (6) | V2x—OV2—Na2A | 145 (2) |
OW1—Na11—Si2xi | 96.0 (9) | V2A—OV2—Na2A | 65.7 (16) |
O18—Na11—Si2xi | 135.1 (7) | V2x—OV2—Na22 | 136.7 (16) |
O17xi—Na11—Si2xi | 25.1 (5) | V2A—OV2—Na22 | 75.5 (13) |
O11v—Na11—Si2xi | 88.8 (5) | Na2A—OV2—Na22 | 11.6 (14) |
V1xi—Na11—Si2xi | 57.6 (3) | Na21xi—OW1—Na11 | 86.6 (12) |
Na21xi—Na11—Si2xi | 67.6 (4) | Na12—OW2—Na22ix | 83.9 (12) |
V1—Na11—Si2xi | 99.7 (4) | Na12—OW2—Na2Aix | 74.9 (12) |
Si3i—Na11—Si2xi | 54.1 (3) | Na22ix—OW2—Na2Aix | 10.3 (10) |
Si1—Na11—Si2xi | 145.3 (5) | Na22—OW4—Na2A | 9.1 (12) |
Si4v—Na11—Si2xi | 113.4 (4) | Na22—OW6—Na2A | 13.5 (10) |
O16—Na12—O13ix | 95.7 (9) | | |
Symmetry codes: (i) −x, y+1/2, −z+1; (ii) −x, y+1/2, −z; (iii) −x+1, y−1/2, −z+1; (iv) x, y−1, z; (v) x, y, z−1; (vi) x, y+1, z−1; (vii) −x, y−1/2, −z+1; (viii) x, y, z+1; (ix) x, y+1, z; (x) −x+1, y+1/2, −z+1; (xi) −x, y−1/2, −z; (xii) x, y−1, z+1. |
Crystal data top
H0Na2O14Si4V | F(000) = 852 |
Mr = 433.28 | Dx = 2.115 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
a = 14.364 (4) Å | Cell parameters from 5566 reflections |
b = 9.134 (3) Å | θ = 1.6–21.0° |
c = 10.373 (3) Å | µ = 1.21 mm−1 |
β = 90.056 (7)° | T = 304 K |
V = 1360.9 (7) Å3 | Prismatic, blue |
Z = 4 | 0.10 × 0.05 × 0.03 mm |
Data collection top
Bruker D8 Venture diffractometer | Rint = 0.048 |
Absorption correction: multi-scan (SADABS; Bruker, 2003) | θmax = 21.0°, θmin = 2.2° |
| h = −14→14 |
5566 measured reflections | k = −7→9 |
1997 independent reflections | l = −10→10 |
1679 reflections with I > 2σ(I) | |
Refinement top
Refinement on F2 | H-atom parameters not defined |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.1458P)2 + 32.8662P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.094 | (Δ/σ)max = 0.088 |
wR(F2) = 0.263 | Δρmax = 1.34 e Å−3 |
S = 1.05 | Δρmin = −0.98 e Å−3 |
1997 reflections | Extinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
159 parameters | Extinction coefficient: 0.029 (5) |
81 restraints | Absolute structure: Twinning involves inversion, so Flack parameter cannot be determined |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
V1 | 0.0017 (6) | 0.7444 (7) | 0.0283 (6) | 0.0206 (12)* | |
V2 | 0.5004 (8) | 0.1211 (12) | 0.4615 (9) | 0.0206 (12)* | 0.622 |
V2A | 0.4953 (14) | 0.2346 (19) | 0.5195 (13) | 0.0206 (12)* | 0.378 |
Si1 | 0.2082 (8) | 0.6186 (13) | 0.1202 (11) | 0.0237 (10)* | |
Si2 | 0.1974 (8) | 0.7789 (14) | −0.1248 (11) | 0.0237 (10)* | |
Si3 | 0.1950 (8) | 0.1191 (13) | 0.8536 (11) | 0.0237 (10)* | |
Si4 | 0.2048 (8) | 0.2810 (13) | 1.0963 (12) | 0.0237 (10)* | |
Si5 | 0.2931 (8) | 0.1011 (13) | 0.6009 (12) | 0.0237 (10)* | |
Si6 | 0.3049 (8) | 0.2589 (13) | 0.3520 (11) | 0.0237 (10)* | |
Si7 | 0.2988 (8) | 0.7581 (13) | 0.6155 (11) | 0.0237 (10)* | |
Si8 | 0.3080 (8) | 0.6002 (13) | 0.3711 (11) | 0.0237 (10)* | |
Na11 | 0.0122 (14) | 0.4463 (15) | 0.2055 (15) | 0.036 (2)* | |
Na12 | 0.4934 (15) | 0.9255 (15) | 0.7259 (15) | 0.036 (2)* | |
Na21 | −0.0054 (15) | 0.5880 (19) | −0.2583 (19) | 0.050 (4)* | |
Na22 | 0.479 (2) | 0.312 (3) | 0.774 (3) | 0.050 (4)* | 0.622 |
Na2A | 0.511 (4) | 0.281 (5) | 0.731 (5) | 0.050 (4)* | 0.378 |
O11 | 0.0953 (13) | 0.251 (3) | 1.103 (2) | 0.0264 (17)* | |
O12 | 0.0875 (13) | 0.146 (3) | 0.860 (2) | 0.0264 (17)* | |
O13 | 0.4008 (13) | 0.129 (3) | 0.614 (2) | 0.0264 (17)* | |
O14 | 0.4142 (13) | 0.237 (3) | 0.355 (2) | 0.0264 (17)* | |
O15 | 0.4155 (13) | 0.612 (3) | 0.382 (2) | 0.0264 (17)* | |
O16 | 0.4097 (12) | 0.738 (3) | 0.622 (2) | 0.0264 (17)* | |
O17 | 0.0864 (13) | 0.745 (3) | −0.128 (2) | 0.0264 (17)* | |
O18 | 0.1021 (13) | 0.644 (3) | 0.139 (2) | 0.0264 (17)* | |
O21 | 0.2695 (16) | −0.0685 (16) | 0.600 (2) | 0.028 (2)* | |
O22 | 0.2205 (16) | −0.0461 (17) | 0.871 (2) | 0.028 (2)* | |
O23 | 0.2318 (16) | 0.4521 (16) | 1.093 (2) | 0.028 (2)* | |
O24 | 0.2749 (16) | 0.4313 (16) | 0.375 (2) | 0.028 (2)* | |
O31 | 0.2374 (14) | 0.172 (3) | 0.7208 (17) | 0.034 (3)* | |
O32 | 0.2590 (13) | 0.205 (3) | 0.2177 (17) | 0.034 (3)* | |
O33 | 0.2492 (13) | 0.698 (2) | −0.2500 (16) | 0.034 (3)* | |
O34 | 0.2672 (13) | 0.672 (2) | 0.2456 (17) | 0.034 (3)* | |
O41 | 0.2559 (14) | 0.673 (2) | 0.4915 (16) | 0.026 (2)* | |
O42 | 0.2484 (14) | 0.716 (2) | 0.0076 (16) | 0.026 (2)* | |
O43 | 0.2464 (14) | 0.206 (2) | 0.9647 (18) | 0.026 (2)* | |
O44 | 0.2539 (14) | 0.169 (2) | 0.4703 (18) | 0.026 (2)* | |
OV1 | 0.009 (2) | 0.905 (3) | 0.088 (2) | 0.026 (7)* | |
OV2 | 0.502 (3) | 0.440 (3) | 0.571 (3) | 0.050 (10)* | |
OW1 | 0.036 (3) | 0.294 (5) | 0.412 (5) | 0.118 (18)* | |
OW2 | 0.493 (3) | 1.049 (4) | 0.915 (3) | 0.064 (10)* | |
OW3 | −0.112 (4) | 0.396 (7) | −0.359 (6) | 0.13 (2)* | |
OW4 | 0.392 (3) | 0.424 (5) | 0.873 (4) | 0.072 (13)* | |
OW5 | 0.124 (3) | 0.440 (5) | −0.360 (4) | 0.067 (14)* | |
OW6 | 0.611 (3) | 0.445 (4) | 0.864 (4) | 0.051 (12)* | |
Geometric parameters (Å, º) top
V1—OV1 | 1.59 (3) | Si5—O31 | 1.614 (18) |
V1—O12i | 1.95 (2) | Si5—Na12iv | 3.54 (2) |
V1—O11i | 1.95 (2) | Si6—O14 | 1.584 (19) |
V1—O17 | 2.02 (2) | Si6—O32 | 1.616 (18) |
V1—O18 | 2.06 (2) | Si6—O44 | 1.648 (18) |
V1—Na11ii | 3.053 (16) | Si6—O24 | 1.650 (18) |
V1—Na11 | 3.288 (16) | Si6—Na12iii | 3.37 (2) |
V1—Na21 | 3.30 (2) | Si7—O16 | 1.605 (19) |
V2—V2A | 1.20 (2) | Si7—O21ix | 1.647 (18) |
V2—OV2iii | 1.69 (3) | Si7—O41 | 1.625 (18) |
V2—O16iii | 1.89 (3) | Si7—O33viii | 1.660 (17) |
V2—O14 | 1.97 (3) | Si7—Na12 | 3.39 (2) |
V2—O15iii | 2.02 (2) | Si8—O15 | 1.552 (18) |
V2—O13 | 2.14 (2) | Si8—O41 | 1.600 (18) |
V2—Na2A | 3.16 (5) | Si8—O34 | 1.571 (18) |
V2—Na12iv | 3.275 (18) | Si8—O24 | 1.614 (18) |
V2—Na12iii | 3.394 (18) | Si8—Na2Ax | 3.26 (6) |
V2—Na22 | 3.69 (3) | Si8—Na12iii | 3.42 (2) |
V2A—O13 | 1.93 (3) | Na11—O18 | 2.32 (3) |
V2A—O15iii | 1.98 (3) | Na11—O12i | 2.41 (3) |
V2A—OV2 | 1.95 (3) | Na11—O17xi | 2.46 (3) |
V2A—O16iii | 2.01 (3) | Na11—O11v | 2.39 (3) |
V2A—O14 | 2.06 (3) | Na11—OW1 | 2.57 (5) |
V2A—Na2A | 2.25 (6) | Na11—Na21xi | 3.32 (2) |
V2A—Na22 | 2.74 (3) | Na12—O16 | 2.35 (3) |
V2A—Na12iii | 3.09 (2) | Na12—OW2 | 2.26 (4) |
V2A—Na12iv | 3.54 (2) | Na12—O14x | 2.33 (3) |
Si1—O18 | 1.554 (19) | Na12—O15x | 2.42 (3) |
Si1—O42 | 1.577 (18) | Na12—O13ix | 2.56 (3) |
Si1—O23v | 1.582 (18) | Na12—Na2Aix | 3.25 (5) |
Si1—O34 | 1.627 (17) | Na21—O17 | 2.37 (3) |
Si1—Na11 | 3.34 (2) | Na21—OV1xi | 2.44 (3) |
Si2—O22vi | 1.633 (18) | Na21—OW1ii | 2.51 (5) |
Si2—O17 | 1.625 (19) | Na21—OW5 | 2.54 (5) |
Si2—O33 | 1.669 (17) | Na21—O11i | 2.55 (3) |
Si2—O42 | 1.659 (18) | Na21—OW3 | 2.55 (6) |
Si2—Na11ii | 3.48 (2) | Na22—Na2A | 0.70 (6) |
Si3—O22 | 1.563 (19) | Na22—OW4 | 1.92 (5) |
Si3—O31 | 1.583 (18) | Na22—OV2 | 2.43 (5) |
Si3—O12 | 1.564 (19) | Na22—OW6 | 2.43 (5) |
Si3—O43 | 1.584 (19) | Na22—O13 | 2.61 (4) |
Si3—Na11vii | 3.42 (2) | Na22—OW2iv | 2.83 (4) |
Si4—O11 | 1.599 (19) | Na22—O15iii | 2.87 (4) |
Si4—O23 | 1.610 (17) | Na2A—OV2 | 2.21 (6) |
Si4—O32viii | 1.632 (18) | Na2A—O15iii | 2.21 (6) |
Si4—O43 | 1.639 (18) | Na2A—O13 | 2.42 (6) |
Si4—Na11viii | 3.35 (2) | Na2A—OW6 | 2.50 (6) |
Si5—O13 | 1.574 (19) | Na2A—OW4 | 2.61 (7) |
Si5—O21 | 1.586 (18) | Na2A—OW2iv | 2.86 (6) |
Si5—O44 | 1.593 (18) | | |
| | | |
OV1—V1—O12i | 103.8 (13) | O14x—Na12—O15x | 92.5 (11) |
OV1—V1—O11i | 106.8 (14) | O16—Na12—O13ix | 93.3 (10) |
O12i—V1—O11i | 87.8 (10) | OW2—Na12—O13ix | 91.7 (12) |
OV1—V1—O17 | 105.6 (13) | O14x—Na12—O13ix | 131.9 (11) |
O12i—V1—O17 | 150.6 (10) | O15x—Na12—O13ix | 63.9 (7) |
O11i—V1—O17 | 82.6 (8) | O16—Na12—V2Ax | 40.5 (6) |
OV1—V1—O18 | 98.5 (13) | OW2—Na12—V2Ax | 174.6 (12) |
O12i—V1—O18 | 85.5 (8) | O14x—Na12—V2Ax | 41.9 (7) |
O11i—V1—O18 | 154.7 (10) | O15x—Na12—V2Ax | 89.3 (8) |
O17—V1—O18 | 91.5 (9) | O13ix—Na12—V2Ax | 93.7 (8) |
OV1—V1—Na11ii | 75.9 (10) | O16—Na12—V2ix | 91.8 (8) |
O12i—V1—Na11ii | 135.1 (8) | OW2—Na12—V2ix | 117.1 (10) |
O11i—V1—Na11ii | 51.6 (8) | O14x—Na12—V2ix | 94.7 (8) |
O17—V1—Na11ii | 53.4 (8) | O15x—Na12—V2ix | 38.0 (6) |
O18—V1—Na11ii | 139.3 (8) | O13ix—Na12—V2ix | 40.7 (6) |
OV1—V1—Na11 | 122.9 (10) | V2Ax—Na12—V2ix | 67.4 (5) |
O12i—V1—Na11 | 46.8 (8) | O16—Na12—Na2Aix | 140.6 (15) |
O11i—V1—Na11 | 116.7 (9) | OW2—Na12—Na2Aix | 59.3 (13) |
O17—V1—Na11 | 114.8 (8) | O14x—Na12—Na2Aix | 134.3 (15) |
O18—V1—Na11 | 44.5 (7) | O15x—Na12—Na2Aix | 42.7 (11) |
Na11ii—V1—Na11 | 161.3 (4) | O13ix—Na12—Na2Aix | 47.4 (12) |
OV1—V1—Na21 | 138.5 (10) | V2Ax—Na12—Na2Aix | 124.9 (12) |
O12i—V1—Na21 | 108.4 (8) | V2ix—Na12—Na2Aix | 57.8 (10) |
O11i—V1—Na21 | 50.3 (7) | O16—Na12—Si6x | 90.1 (7) |
O17—V1—Na21 | 45.5 (7) | OW2—Na12—Si6x | 115.7 (12) |
O18—V1—Na21 | 109.4 (8) | O14x—Na12—Si6x | 24.6 (6) |
Na11ii—V1—Na21 | 62.9 (5) | O15x—Na12—Si6x | 75.1 (8) |
Na11—V1—Na21 | 98.4 (4) | O13ix—Na12—Si6x | 131.7 (8) |
V2A—V2—OV2iii | 160.9 (16) | V2Ax—Na12—Si6x | 60.1 (5) |
V2A—V2—O16iii | 77.6 (13) | V2ix—Na12—Si6x | 91.1 (5) |
OV2iii—V2—O16iii | 118.2 (15) | Na2Aix—Na12—Si6x | 112.9 (13) |
V2A—V2—O14 | 77.0 (12) | O16—Na12—Si7 | 25.1 (6) |
OV2iii—V2—O14 | 114.0 (16) | OW2—Na12—Si7 | 121.1 (12) |
O16iii—V2—O14 | 82.3 (9) | O14x—Na12—Si7 | 90.9 (7) |
V2A—V2—O15iii | 70.7 (12) | O15x—Na12—Si7 | 127.4 (8) |
OV2iii—V2—O15iii | 97.5 (15) | O13ix—Na12—Si7 | 75.4 (7) |
O16iii—V2—O15iii | 89.1 (10) | V2Ax—Na12—Si7 | 60.7 (5) |
O14—V2—O15iii | 147.7 (11) | V2ix—Na12—Si7 | 89.4 (5) |
V2A—V2—O13 | 63.7 (12) | Na2Aix—Na12—Si7 | 121.2 (13) |
OV2iii—V2—O13 | 99.8 (14) | Si6x—Na12—Si7 | 115.1 (5) |
O16iii—V2—O13 | 141.3 (11) | O16—Na12—V2x | 32.4 (6) |
O14—V2—O13 | 88.6 (10) | OW2—Na12—V2x | 154.8 (11) |
O15iii—V2—O13 | 78.8 (8) | O14x—Na12—V2x | 34.2 (6) |
V2A—V2—Na2A | 33.0 (12) | O15x—Na12—V2x | 107.3 (8) |
OV2iii—V2—Na2A | 129.0 (15) | O13ix—Na12—V2x | 110.5 (8) |
O16iii—V2—Na2A | 96.7 (12) | V2Ax—Na12—V2x | 20.7 (4) |
O14—V2—Na2A | 106.0 (13) | V2ix—Na12—V2x | 88.1 (4) |
O15iii—V2—Na2A | 44.0 (12) | Na2Aix—Na12—V2x | 145.5 (11) |
O13—V2—Na2A | 50.0 (12) | Si6x—Na12—V2x | 58.0 (4) |
V2A—V2—Na12iv | 92.9 (9) | Si7—Na12—V2x | 57.2 (4) |
OV2iii—V2—Na12iv | 68.4 (11) | O16—Na12—Si8x | 129.2 (8) |
O16iii—V2—Na12iv | 135.7 (9) | OW2—Na12—Si8x | 91.4 (11) |
O14—V2—Na12iv | 138.1 (8) | O14x—Na12—Si8x | 76.3 (8) |
O15iii—V2—Na12iv | 47.6 (8) | O15x—Na12—Si8x | 23.9 (6) |
O13—V2—Na12iv | 51.5 (7) | O13ix—Na12—Si8x | 87.7 (7) |
Na2A—V2—Na12iv | 60.7 (9) | V2Ax—Na12—Si8x | 88.6 (6) |
V2A—V2—Na12iii | 65.2 (9) | V2ix—Na12—Si8x | 58.2 (4) |
OV2iii—V2—Na12iii | 133.6 (12) | Na2Aix—Na12—Si8x | 58.4 (11) |
O16iii—V2—Na12iii | 41.8 (8) | Si6x—Na12—Si8x | 54.8 (5) |
O14—V2—Na12iii | 41.7 (8) | Si7—Na12—Si8x | 143.1 (6) |
O15iii—V2—Na12iii | 118.4 (9) | V2x—Na12—Si8x | 101.0 (6) |
O13—V2—Na12iii | 114.5 (8) | O17—Na21—OV1xi | 90.6 (11) |
Na2A—V2—Na12iii | 97.4 (9) | O17—Na21—OW1ii | 90.3 (14) |
Na12iv—V2—Na12iii | 158.1 (5) | OV1xi—Na21—OW1ii | 167.0 (16) |
V2A—V2—Na22 | 31.5 (9) | O17—Na21—OW5 | 98.7 (13) |
OV2iii—V2—Na22 | 129.5 (13) | OV1xi—Na21—OW5 | 87.2 (13) |
O16iii—V2—Na22 | 101.2 (9) | OW1ii—Na21—OW5 | 105.4 (17) |
O14—V2—Na22 | 100.6 (10) | O17—Na21—O11i | 64.4 (8) |
O15iii—V2—Na22 | 50.6 (9) | OV1xi—Na21—O11i | 86.1 (11) |
O13—V2—Na22 | 43.7 (8) | OW1ii—Na21—O11i | 82.7 (14) |
Na2A—V2—Na22 | 7.5 (12) | OW5—Na21—O11i | 161.7 (14) |
Na12iv—V2—Na22 | 61.4 (6) | O17—Na21—OW3 | 169.2 (17) |
Na12iii—V2—Na22 | 96.7 (6) | OV1xi—Na21—OW3 | 79.2 (16) |
V2—V2A—O13 | 82.4 (13) | OW1ii—Na21—OW3 | 98.8 (18) |
V2—V2A—O15iii | 74.4 (13) | OW5—Na21—OW3 | 84.6 (16) |
O13—V2A—O15iii | 84.9 (10) | O11i—Na21—OW3 | 110.7 (16) |
V2—V2A—OV2 | 164.5 (17) | O17—Na21—Na11ii | 47.7 (7) |
O13—V2A—OV2 | 111.8 (15) | OV1xi—Na21—Na11ii | 123.8 (10) |
O15iii—V2A—OV2 | 111.8 (16) | OW1ii—Na21—Na11ii | 50.1 (12) |
V2—V2A—O16iii | 66.7 (12) | OW5—Na21—Na11ii | 128.1 (12) |
O13—V2A—O16iii | 149.1 (13) | O11i—Na21—Na11ii | 45.8 (7) |
O15iii—V2A—O16iii | 87.0 (12) | OW3—Na21—Na11ii | 136.5 (16) |
OV2—V2A—O16iii | 98.9 (15) | O17—Na21—V1 | 37.5 (6) |
V2—V2A—O14 | 68.4 (11) | OV1xi—Na21—V1 | 69.1 (8) |
O13—V2A—O14 | 91.7 (12) | OW1ii—Na21—V1 | 104.6 (13) |
O15iii—V2A—O14 | 142.8 (13) | OW5—Na21—V1 | 125.8 (12) |
OV2—V2A—O14 | 103.9 (16) | O11i—Na21—V1 | 36.1 (6) |
O16iii—V2A—O14 | 77.2 (9) | OW3—Na21—V1 | 133.1 (15) |
V2—V2A—Na2A | 130.1 (18) | Na11ii—Na21—V1 | 54.9 (4) |
O13—V2A—Na2A | 70.4 (17) | Na2A—Na22—OW4 | 171 (6) |
O15iii—V2A—Na2A | 62.6 (17) | Na2A—Na22—OV2 | 64 (5) |
OV2—V2A—Na2A | 63.2 (16) | OW4—Na22—OV2 | 107 (2) |
O16iii—V2A—Na2A | 130 (2) | Na2A—Na22—OW6 | 87 (5) |
O14—V2A—Na2A | 149 (2) | OW4—Na22—OW6 | 92.2 (17) |
V2—V2A—Na22 | 135.3 (13) | OV2—Na22—OW6 | 89.4 (16) |
O13—V2A—Na22 | 65.1 (11) | Na2A—Na22—O13 | 67 (5) |
O15iii—V2A—Na22 | 72.9 (11) | OW4—Na22—O13 | 113 (2) |
OV2—V2A—Na22 | 59.5 (12) | OV2—Na22—O13 | 79.3 (13) |
O16iii—V2A—Na22 | 139.4 (13) | OW6—Na22—O13 | 154.0 (18) |
O14—V2A—Na22 | 138.0 (13) | Na2A—Na22—V2A | 39 (5) |
Na2A—V2A—Na22 | 11.3 (17) | OW4—Na22—V2A | 135 (2) |
V2—V2A—Na12iii | 94.1 (9) | OV2—Na22—V2A | 43.8 (9) |
O13—V2A—Na12iii | 137.5 (11) | OW6—Na22—V2A | 115.6 (16) |
O15iii—V2A—Na12iii | 135.1 (11) | O13—Na22—V2A | 42.3 (8) |
OV2—V2A—Na12iii | 71.4 (11) | Na2A—Na22—OW2iv | 86 (6) |
O16iii—V2A—Na12iii | 49.6 (9) | OW4—Na22—OW2iv | 102.7 (19) |
O14—V2A—Na12iii | 48.9 (8) | OV2—Na22—OW2iv | 148.1 (16) |
Na2A—V2A—Na12iii | 134.0 (15) | OW6—Na22—OW2iv | 99.8 (17) |
Na22—V2A—Na12iii | 130.6 (9) | O13—Na22—OW2iv | 79.3 (11) |
V2—V2A—Na12iv | 67.4 (9) | V2A—Na22—OW2iv | 105.8 (12) |
O13—V2A—Na12iv | 44.8 (8) | Na2A—Na22—O15iii | 15 (5) |
O15iii—V2A—Na12iv | 40.9 (8) | OW4—Na22—O15iii | 170 (2) |
OV2—V2A—Na12iv | 126.9 (11) | OV2—Na22—O15iii | 75.3 (12) |
O16iii—V2A—Na12iv | 117.4 (10) | OW6—Na22—O15iii | 97.1 (15) |
O14—V2A—Na12iv | 120.3 (11) | O13—Na22—O15iii | 57.4 (9) |
Na2A—V2A—Na12iv | 63.8 (13) | V2A—Na22—O15iii | 41.3 (8) |
Na22—V2A—Na12iv | 67.9 (8) | OW2iv—Na22—O15iii | 73.3 (11) |
Na12iii—V2A—Na12iv | 161.4 (6) | Na2A—Na22—Na12iv | 57 (5) |
O18—Si1—O42 | 111.7 (12) | OW4—Na22—Na12iv | 129.6 (19) |
O18—Si1—O23v | 112.1 (11) | OV2—Na22—Na12iv | 110.2 (12) |
O42—Si1—O23v | 109.4 (11) | OW6—Na22—Na12iv | 120.1 (17) |
O18—Si1—O34 | 111.3 (11) | O13—Na22—Na12iv | 45.8 (8) |
O42—Si1—O34 | 103.4 (10) | V2A—Na22—Na12iv | 66.8 (8) |
O23v—Si1—O34 | 108.5 (11) | OW2iv—Na22—Na12iv | 39.3 (8) |
O18—Si1—Na11 | 37.9 (10) | O15iii—Na22—Na12iv | 42.5 (7) |
O42—Si1—Na11 | 140.3 (9) | Na2A—Na22—V2 | 36 (5) |
O23v—Si1—Na11 | 77.0 (9) | OW4—Na22—V2 | 141 (2) |
O34—Si1—Na11 | 111.6 (9) | OV2—Na22—V2 | 57.0 (9) |
O22vi—Si2—O17 | 112.8 (11) | OW6—Na22—V2 | 120.6 (15) |
O22vi—Si2—O33 | 108.9 (11) | O13—Na22—V2 | 34.5 (7) |
O17—Si2—O33 | 109.8 (11) | V2A—Na22—V2 | 13.2 (5) |
O22vi—Si2—O42 | 105.7 (11) | OW2iv—Na22—V2 | 92.6 (10) |
O17—Si2—O42 | 112.3 (11) | O15iii—Na22—V2 | 33.0 (6) |
O33—Si2—O42 | 107.1 (10) | Na12iv—Na22—V2 | 53.5 (5) |
O22vi—Si2—Na11ii | 74.9 (9) | Na22—Na2A—OV2 | 100 (6) |
O17—Si2—Na11ii | 39.8 (10) | Na22—Na2A—O15iii | 160 (6) |
O33—Si2—Na11ii | 113.2 (9) | OV2—Na2A—O15iii | 95 (2) |
O42—Si2—Na11ii | 137.1 (9) | Na22—Na2A—V2A | 129 (7) |
O22—Si3—O31 | 107.9 (11) | OV2—Na2A—V2A | 51.9 (14) |
O22—Si3—O12 | 112.1 (11) | O15iii—Na2A—V2A | 52.9 (15) |
O31—Si3—O12 | 111.7 (12) | Na22—Na2A—O13 | 98 (6) |
O22—Si3—O43 | 106.9 (11) | OV2—Na2A—O13 | 88 (2) |
O31—Si3—O43 | 107.5 (11) | O15iii—Na2A—O13 | 69.5 (16) |
O12—Si3—O43 | 110.5 (11) | V2A—Na2A—O13 | 48.7 (14) |
O22—Si3—Na11vii | 77.3 (9) | Na22—Na2A—OW6 | 77 (5) |
O31—Si3—Na11vii | 108.7 (9) | OV2—Na2A—OW6 | 93 (2) |
O12—Si3—Na11vii | 38.9 (10) | O15iii—Na2A—OW6 | 116 (3) |
O43—Si3—Na11vii | 140.1 (9) | V2A—Na2A—OW6 | 135 (3) |
O11—Si4—O23 | 113.7 (11) | O13—Na2A—OW6 | 175 (3) |
O11—Si4—O32viii | 111.2 (11) | Na22—Na2A—OW4 | 6 (5) |
O23—Si4—O32viii | 108.1 (11) | OV2—Na2A—OW4 | 93 (2) |
O11—Si4—O43 | 109.1 (11) | O15iii—Na2A—OW4 | 165 (3) |
O23—Si4—O43 | 107.4 (11) | V2A—Na2A—OW4 | 126 (3) |
O32viii—Si4—O43 | 107.0 (10) | O13—Na2A—OW4 | 98 (2) |
O11—Si4—Na11viii | 41.3 (10) | OW6—Na2A—OW4 | 76.4 (17) |
O23—Si4—Na11viii | 76.6 (9) | Na22—Na2A—OW2iv | 80 (6) |
O32viii—Si4—Na11viii | 108.8 (9) | OV2—Na2A—OW2iv | 169 (3) |
O43—Si4—Na11viii | 140.4 (10) | O15iii—Na2A—OW2iv | 83.2 (18) |
O13—Si5—O21 | 111.8 (12) | V2A—Na2A—OW2iv | 120 (2) |
O13—Si5—O44 | 110.9 (12) | O13—Na2A—OW2iv | 81.7 (17) |
O21—Si5—O44 | 107.4 (11) | OW6—Na2A—OW2iv | 97 (2) |
O13—Si5—O31 | 110.8 (12) | OW4—Na2A—OW2iv | 86.4 (19) |
O21—Si5—O31 | 107.0 (11) | Na22—Na2A—V2 | 136 (6) |
O44—Si5—O31 | 108.9 (11) | OV2—Na2A—V2 | 68.6 (16) |
O13—Si5—Na12iv | 40.9 (10) | O15iii—Na2A—V2 | 39.6 (10) |
O21—Si5—Na12iv | 74.6 (9) | V2A—Na2A—V2 | 16.9 (7) |
O44—Si5—Na12iv | 140.8 (9) | O13—Na2A—V2 | 42.5 (10) |
O31—Si5—Na12iv | 107.6 (9) | OW6—Na2A—V2 | 142 (2) |
O14—Si6—O32 | 112.7 (11) | OW4—Na2A—V2 | 134 (2) |
O14—Si6—O44 | 111.3 (11) | OW2iv—Na2A—V2 | 104.2 (16) |
O32—Si6—O44 | 108.1 (11) | Na22—Na2A—Si8iii | 160 (7) |
O14—Si6—O24 | 111.9 (11) | OV2—Na2A—Si8iii | 98 (2) |
O32—Si6—O24 | 107.8 (11) | O15iii—Na2A—Si8iii | 24.5 (9) |
O44—Si6—O24 | 104.6 (10) | V2A—Na2A—Si8iii | 70.4 (16) |
O14—Si6—Na12iii | 37.7 (10) | O13—Na2A—Si8iii | 93.9 (17) |
O32—Si6—Na12iii | 106.2 (9) | OW6—Na2A—Si8iii | 91 (2) |
O44—Si6—Na12iii | 141.7 (9) | OW4—Na2A—Si8iii | 164 (2) |
O24—Si6—Na12iii | 80.1 (9) | OW2iv—Na2A—Si8iii | 85.0 (16) |
O16—Si7—O21ix | 111.6 (11) | V2—Na2A—Si8iii | 61.0 (10) |
O16—Si7—O41 | 110.9 (11) | Na22—Na2A—Na12iv | 112 (6) |
O21ix—Si7—O41 | 106.6 (10) | OV2—Na2A—Na12iv | 130 (2) |
O16—Si7—O33viii | 110.6 (11) | O15iii—Na2A—Na12iv | 48.2 (11) |
O21ix—Si7—O33viii | 107.0 (10) | V2A—Na2A—Na12iv | 77.9 (15) |
O41—Si7—O33viii | 110.1 (10) | O13—Na2A—Na12iv | 51.2 (11) |
O16—Si7—Na12 | 38.5 (10) | OW6—Na2A—Na12iv | 131 (2) |
O21ix—Si7—Na12 | 79.1 (9) | OW4—Na2A—Na12iv | 117 (2) |
O41—Si7—Na12 | 142.8 (9) | OW2iv—Na2A—Na12iv | 42.8 (10) |
O33viii—Si7—Na12 | 102.7 (8) | V2—Na2A—Na12iv | 61.4 (9) |
O15—Si8—O41 | 112.3 (11) | Si8iii—Na2A—Na12iv | 63.3 (11) |
O15—Si8—O34 | 113.7 (12) | Si4—O11—V1vii | 132.6 (14) |
O41—Si8—O34 | 107.4 (11) | Si4—O11—Na11viii | 112.6 (14) |
O15—Si8—O24 | 111.0 (12) | V1vii—O11—Na11viii | 88.7 (10) |
O41—Si8—O24 | 103.8 (10) | Si4—O11—Na21vii | 128.9 (14) |
O34—Si8—O24 | 108.0 (11) | V1vii—O11—Na21vii | 93.5 (9) |
O15—Si8—Na2Ax | 36.2 (13) | Na11viii—O11—Na21vii | 84.4 (9) |
O41—Si8—Na2Ax | 114.8 (12) | Si3—O12—V1vii | 138.3 (15) |
O34—Si8—Na2Ax | 79.4 (12) | Si3—O12—Na11vii | 117.1 (13) |
O24—Si8—Na2Ax | 136.5 (13) | V1vii—O12—Na11vii | 97.2 (10) |
O15—Si8—Na12iii | 39.2 (10) | Si5—O13—V2A | 136.7 (16) |
O41—Si8—Na12iii | 144.4 (9) | Si5—O13—V2 | 126.0 (14) |
O34—Si8—Na12iii | 105.2 (9) | V2A—O13—V2 | 33.9 (7) |
O24—Si8—Na12iii | 78.9 (9) | Si5—O13—Na2A | 141 (2) |
Na2Ax—Si8—Na12iii | 58.2 (9) | V2A—O13—Na2A | 60.9 (15) |
O18—Na11—O12i | 70.1 (8) | V2—O13—Na2A | 87.5 (15) |
O18—Na11—O17xi | 143.6 (10) | Si5—O13—Na12iv | 115.5 (13) |
O12i—Na11—O17xi | 97.6 (10) | V2A—O13—Na12iv | 103.1 (11) |
O18—Na11—O11v | 99.8 (11) | V2—O13—Na12iv | 87.8 (9) |
O12i—Na11—O11v | 137.2 (11) | Na2A—O13—Na12iv | 81.4 (14) |
O17xi—Na11—O11v | 65.4 (7) | Si5—O13—Na22 | 125.7 (15) |
O18—Na11—OW1 | 126.3 (15) | V2A—O13—Na22 | 72.6 (10) |
O12i—Na11—OW1 | 135.9 (15) | V2—O13—Na22 | 101.8 (11) |
O17xi—Na11—OW1 | 86.8 (14) | Na2A—O13—Na22 | 15.3 (14) |
O11v—Na11—OW1 | 84.4 (14) | Na12iv—O13—Na22 | 87.4 (10) |
O18—Na11—V1xi | 105.7 (8) | Si6—O14—V2 | 134.6 (15) |
O12i—Na11—V1xi | 101.2 (8) | Si6—O14—V2A | 125.4 (14) |
O17xi—Na11—V1xi | 41.4 (6) | V2—O14—V2A | 34.6 (7) |
O11v—Na11—V1xi | 39.7 (6) | Si6—O14—Na12iii | 117.8 (15) |
OW1—Na11—V1xi | 110.1 (13) | V2—O14—Na12iii | 104.1 (10) |
O18—Na11—V1 | 38.4 (6) | V2A—O14—Na12iii | 89.2 (11) |
O12i—Na11—V1 | 36.0 (6) | Si8—O15—V2Ax | 136.0 (16) |
O17xi—Na11—V1 | 114.3 (8) | Si8—O15—V2x | 130.9 (14) |
O11v—Na11—V1 | 113.1 (8) | V2Ax—O15—V2x | 34.9 (7) |
OW1—Na11—V1 | 156.5 (13) | Si8—O15—Na2Ax | 119.3 (19) |
V1xi—Na11—V1 | 93.1 (4) | V2Ax—O15—Na2Ax | 64.6 (17) |
O18—Na11—Na21xi | 146.2 (10) | V2x—O15—Na2Ax | 96.4 (17) |
O12i—Na11—Na21xi | 140.6 (10) | Si8—O15—Na12iii | 117.0 (14) |
O17xi—Na11—Na21xi | 45.5 (7) | V2Ax—O15—Na12iii | 106.6 (11) |
O11v—Na11—Na21xi | 49.7 (7) | V2x—O15—Na12iii | 94.4 (9) |
OW1—Na11—Na21xi | 48.3 (12) | Na2Ax—O15—Na12iii | 89.1 (15) |
V1xi—Na11—Na21xi | 62.2 (5) | Si8—O15—Na22x | 121.9 (14) |
V1—Na11—Na21xi | 155.1 (6) | V2Ax—O15—Na22x | 65.8 (10) |
O18—Na11—Si1 | 24.3 (6) | V2x—O15—Na22x | 96.4 (11) |
O12i—Na11—Si1 | 94.0 (7) | Na2Ax—O15—Na22x | 4.7 (16) |
O17xi—Na11—Si1 | 138.6 (8) | Na12iii—O15—Na22x | 84.4 (10) |
O11v—Na11—Si1 | 79.2 (8) | Si7—O16—V2x | 136.3 (15) |
OW1—Na11—Si1 | 111.3 (13) | Si7—O16—V2Ax | 130.1 (14) |
V1xi—Na11—Si1 | 97.4 (5) | V2x—O16—V2Ax | 35.7 (7) |
V1—Na11—Si1 | 60.0 (4) | Si7—O16—Na12 | 116.4 (14) |
Na21xi—Na11—Si1 | 122.2 (7) | V2x—O16—Na12 | 105.8 (10) |
O18—Na11—Si4v | 78.0 (8) | V2Ax—O16—Na12 | 89.9 (10) |
O12i—Na11—Si4v | 137.3 (9) | Si2—O17—V1 | 125.2 (13) |
O17xi—Na11—Si4v | 91.5 (7) | Si2—O17—Na21 | 132.2 (14) |
O11v—Na11—Si4v | 26.1 (5) | V1—O17—Na21 | 97.0 (9) |
OW1—Na11—Si4v | 86.0 (12) | Si2—O17—Na11ii | 115.2 (13) |
V1xi—Na11—Si4v | 60.8 (4) | V1—O17—Na11ii | 85.2 (9) |
V1—Na11—Si4v | 102.8 (5) | Na21—O17—Na11ii | 86.8 (9) |
Na21xi—Na11—Si4v | 68.7 (5) | Si1—O18—V1 | 133.0 (14) |
Si1—Na11—Si4v | 55.0 (4) | Si1—O18—Na11 | 117.8 (14) |
O18—Na11—Si3i | 94.1 (7) | V1—O18—Na11 | 97.0 (9) |
O12i—Na11—Si3i | 24.0 (5) | Si5—O21—Si7iv | 152.1 (16) |
O17xi—Na11—Si3i | 77.7 (8) | Si3—O22—Si2xii | 154.2 (16) |
O11v—Na11—Si3i | 134.2 (9) | Si1viii—O23—Si4 | 151.4 (16) |
OW1—Na11—Si3i | 120.7 (13) | Si8—O24—Si6 | 146.3 (15) |
V1xi—Na11—Si3i | 94.6 (5) | Si3—O31—Si5 | 137.8 (16) |
V1—Na11—Si3i | 58.6 (4) | Si6—O32—Si4v | 137.0 (16) |
Na21xi—Na11—Si3i | 117.3 (7) | Si2—O33—Si7v | 134.5 (15) |
Si1—Na11—Si3i | 117.9 (5) | Si8—O34—Si1 | 136.9 (15) |
Si4v—Na11—Si3i | 149.9 (6) | Si8—O41—Si7 | 129.7 (14) |
O18—Na11—Si2xi | 138.7 (9) | Si1—O42—Si2 | 130.4 (14) |
O12i—Na11—Si2xi | 75.6 (8) | Si3—O43—Si4 | 130.2 (14) |
O17xi—Na11—Si2xi | 25.0 (5) | Si5—O44—Si6 | 132.1 (14) |
O11v—Na11—Si2xi | 89.9 (7) | V1—OV1—Na21ii | 155.7 (16) |
OW1—Na11—Si2xi | 94.4 (13) | V2x—OV2—V2A | 152 (2) |
V1xi—Na11—Si2xi | 59.2 (4) | V2x—OV2—Na2A | 143 (2) |
V1—Na11—Si2xi | 101.0 (5) | V2A—OV2—Na2A | 65.0 (16) |
Na21xi—Na11—Si2xi | 65.2 (5) | V2x—OV2—Na22 | 129.8 (18) |
Si1—Na11—Si2xi | 150.7 (6) | V2A—OV2—Na22 | 76.7 (13) |
Si4v—Na11—Si2xi | 115.8 (5) | Na2A—OV2—Na22 | 16.4 (15) |
Si3i—Na11—Si2xi | 53.7 (4) | Na21xi—OW1—Na11 | 81.6 (16) |
O16—Na12—OW2 | 139.2 (14) | Na12—OW2—Na22ix | 88.5 (13) |
O16—Na12—O14x | 65.7 (8) | Na12—OW2—Na2Aix | 77.9 (14) |
OW2—Na12—O14x | 133.0 (14) | Na22ix—OW2—Na2Aix | 14.0 (11) |
O16—Na12—O15x | 125.3 (10) | Na22—OW4—Na2A | 2.3 (17) |
OW2—Na12—O15x | 93.0 (12) | Na22—OW6—Na2A | 16.2 (14) |
Symmetry codes: (i) −x, y+1/2, −z+1; (ii) −x, y+1/2, −z; (iii) −x+1, y−1/2, −z+1; (iv) x, y−1, z; (v) x, y, z−1; (vi) x, y+1, z−1; (vii) −x, y−1/2, −z+1; (viii) x, y, z+1; (ix) x, y+1, z; (x) −x+1, y+1/2, −z+1; (xi) −x, y−1/2, −z; (xii) x, y−1, z+1. |
Crystal data top
H0Na2O11Si4V | F(000) = 756 |
Mr = 385.28 | Dx = 2.202 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
a = 12.584 (16) Å | Cell parameters from 1536 reflections |
b = 9.525 (13) Å | θ = 1.6–21.0° |
c = 9.696 (14) Å | µ = 1.39 mm−1 |
β = 90.10 (4)° | T = 398 K |
V = 1162 (3) Å3 | Prismatic, blue |
Z = 4 | 0.10 × 0.05 × 0.03 mm |
Data collection top
Bruker D8 Venture diffractometer | Rint = 0.082 |
Absorption correction: multi-scan (SADABS; Bruker, 2003) | θmax = 21.0°, θmin = 2.7° |
| h = −7→11 |
1536 measured reflections | k = −9→5 |
1081 independent reflections | l = −9→9 |
610 reflections with I > 2σ(I) | |
Refinement top
Refinement on F2 | 83 restraints |
Least-squares matrix: full | H-atom parameters not defined |
R[F2 > 2σ(F2)] = 0.113 | w = 1/[σ2(Fo2) + (0.2P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.322 | (Δ/σ)max = 0.110 |
S = 1.06 | Δρmax = 1.02 e Å−3 |
1081 reflections | Δρmin = −1.02 e Å−3 |
137 parameters | Absolute structure: Twinning involves inversion, so Flack parameter cannot be determined |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
V1 | −0.014 (2) | 0.6867 (19) | 0.0266 (19) | 0.047 (3)* | |
V2 | 0.485 (3) | 0.279 (3) | 0.476 (3) | 0.047 (3)* | 0.622 |
V2A | 0.507 (3) | 0.204 (4) | 0.536 (4) | 0.047 (3)* | 0.378 |
Si1 | 0.247 (2) | 0.3311 (18) | 0.026 (2) | 0.0443 (18)* | |
Si2 | 0.1601 (19) | 0.151 (2) | 0.244 (2) | 0.0443 (18)* | |
Si3 | 0.164 (2) | 0.822 (2) | 0.247 (2) | 0.0443 (18)* | |
Si4 | 0.247 (2) | 0.6525 (18) | 0.023 (2) | 0.0443 (18)* | |
Si5 | 0.256 (2) | 0.8339 (17) | 0.517 (2) | 0.0443 (18)* | |
Si6 | 0.337 (2) | 0.651 (2) | 0.747 (2) | 0.0443 (18)* | |
Si7 | 0.249 (2) | 0.1485 (18) | 0.519 (2) | 0.0443 (18)* | |
Si8 | 0.333 (2) | 0.322 (2) | 0.746 (2) | 0.0443 (18)* | |
Na11 | 0.085 (4) | 0.491 (3) | −0.210 (6) | 0.064 (5)* | |
Na12 | 0.417 (4) | −0.002 (4) | 0.286 (5) | 0.064 (5)* | |
Na21 | −0.099 (4) | 0.371 (4) | 0.225 (6) | 0.077 (10)* | |
Na22 | 0.586 (8) | 0.130 (9) | 0.741 (10) | 0.077 (10)* | 0.622 |
Na2A | 0.622 (11) | 0.127 (15) | 0.715 (17) | 0.077 (10)* | 0.378 |
O11 | 0.124 (3) | 0.665 (4) | −0.033 (5) | 0.041 (3)* | |
O12 | 0.054 (3) | 0.790 (4) | 0.189 (4) | 0.041 (3)* | |
O13 | 0.370 (3) | 0.820 (4) | 0.457 (5) | 0.041 (3)* | |
O14 | 0.455 (3) | 0.669 (4) | 0.683 (4) | 0.041 (3)* | |
O15 | 0.447 (3) | 0.303 (4) | 0.681 (5) | 0.041 (3)* | |
O16 | 0.364 (3) | 0.165 (4) | 0.449 (4) | 0.041 (3)* | |
O17 | 0.046 (3) | 0.175 (5) | 0.169 (4) | 0.041 (3)* | |
O18 | 0.129 (3) | 0.326 (4) | −0.041 (5) | 0.041 (3)* | |
O21 | 0.226 (3) | 0.985 (2) | 0.563 (3) | 0.042 (5)* | |
O22 | 0.192 (3) | 0.983 (2) | 0.240 (3) | 0.042 (5)* | |
O23 | 0.281 (3) | 0.491 (2) | 0.061 (3) | 0.042 (5)* | |
O24 | 0.299 (3) | 0.487 (2) | 0.751 (3) | 0.042 (5)* | |
O31 | 0.170 (3) | 0.778 (3) | 0.407 (3) | 0.033 (5)* | |
O32 | 0.331 (3) | 0.716 (3) | 0.907 (3) | 0.033 (5)* | |
O33 | 0.156 (3) | 0.198 (3) | 0.410 (3) | 0.033 (5)* | |
O34 | 0.332 (3) | 0.269 (3) | −0.091 (3) | 0.033 (5)* | |
O41 | 0.242 (3) | 0.240 (3) | 0.662 (3) | 0.041 (5)* | |
O42 | 0.255 (3) | 0.240 (3) | 0.167 (3) | 0.041 (5)* | |
O43 | 0.257 (3) | 0.743 (3) | 0.169 (3) | 0.041 (5)* | |
O44 | 0.247 (3) | 0.737 (3) | 0.652 (3) | 0.041 (5)* | |
OV1 | −0.050 (4) | 0.545 (4) | 0.099 (5) | 0.018 (12)* | |
OV2 | 0.469 (10) | 0.447 (7) | 0.448 (12) | 0.10 (4)* | 0.622 |
OV2A | 0.495 (18) | 0.127 (17) | 0.690 (13) | 0.10 (4)* | 0.378 |
Geometric parameters (Å, º) top
V1—OV1 | 1.59 (4) | Si5—O13 | 1.56 (3) |
V1—O11 | 1.84 (4) | Si5—O44 | 1.61 (3) |
V1—O17i | 1.94 (5) | Si5—O31 | 1.60 (3) |
V1—O18i | 1.97 (5) | Si5—Na21vii | 3.21 (6) |
V1—O12 | 2.05 (4) | Si5—Na2Aiii | 3.36 (14) |
V1—Na11 | 3.21 (5) | Si5—Na12viii | 3.40 (6) |
V1—Na21i | 3.32 (6) | Si6—O14 | 1.62 (3) |
V1—Na11i | 3.52 (4) | Si6—O24 | 1.64 (3) |
V2—V2A | 0.96 (4) | Si6—O44 | 1.67 (3) |
V2—OV2 | 1.64 (7) | Si6—O32 | 1.68 (3) |
V2—O16 | 1.89 (5) | Si6—Na12iii | 3.44 (5) |
V2—O13ii | 1.98 (5) | Si7—O16 | 1.61 (3) |
V2—O14ii | 2.01 (5) | Si7—O41 | 1.64 (3) |
V2—O15 | 2.05 (5) | Si7—O21iv | 1.64 (3) |
V2—Na22 | 3.20 (11) | Si7—O33 | 1.65 (3) |
V2—Na2A | 3.23 (16) | Si7—Na12 | 3.41 (6) |
V2—Na12 | 3.36 (5) | Si8—O15 | 1.58 (3) |
V2—Na12iii | 3.35 (5) | Si8—O41 | 1.61 (3) |
V2A—OV2A | 1.67 (8) | Si8—O24 | 1.63 (3) |
V2A—O15 | 1.85 (6) | Si8—O34ix | 1.66 (3) |
V2A—O13ii | 1.90 (5) | Na11—O18 | 2.33 (6) |
V2A—O16 | 2.02 (5) | Na11—O11 | 2.44 (6) |
V2A—O14ii | 2.20 (6) | Na11—O17i | 2.44 (6) |
V2A—Na22 | 2.33 (11) | Na11—O12v | 2.60 (6) |
V2A—Na2A | 2.37 (16) | Na11—O24vi | 2.73 (7) |
V2A—Na12 | 3.32 (6) | Na11—Na21i | 3.63 (5) |
V2A—Na12iii | 3.42 (5) | Na12—O14ii | 2.31 (6) |
Si1—O18 | 1.62 (3) | Na12—O16 | 2.33 (6) |
Si1—O23 | 1.62 (3) | Na12—O13iv | 2.45 (6) |
Si1—O42 | 1.62 (3) | Na12—O15ii | 2.55 (6) |
Si1—O34 | 1.66 (3) | Na12—O22iv | 2.86 (7) |
Si1—Na11 | 3.42 (6) | Na21—OV1 | 2.15 (6) |
Si2—O17 | 1.62 (3) | Na21—O44x | 2.56 (6) |
Si2—O42 | 1.64 (3) | Na21—O17 | 2.66 (6) |
Si2—O22iv | 1.65 (3) | Na21—O11v | 2.72 (6) |
Si2—O33 | 1.67 (3) | Na21—O21x | 2.82 (7) |
Si2—Na11v | 3.46 (5) | Na22—Na2A | 0.53 (18) |
Si3—O12 | 1.52 (3) | Na22—OV2A | 1.25 (19) |
Si3—O43 | 1.58 (3) | Na22—O43ii | 2.42 (11) |
Si3—O22 | 1.58 (3) | Na22—O15 | 2.47 (10) |
Si3—O31 | 1.60 (3) | Na22—OV2ii | 2.62 (12) |
Si3—Na2Aiii | 3.29 (14) | Na22—O13ii | 2.70 (10) |
Si4—O23 | 1.63 (3) | Na22—O23ii | 2.87 (11) |
Si4—O11 | 1.64 (3) | Na2A—OV2A | 1.6 (3) |
Si4—O32vi | 1.66 (3) | Na2A—O43ii | 2.19 (16) |
Si4—O43 | 1.66 (3) | Na2A—O13ii | 2.48 (15) |
Si4—Na2Aiii | 3.03 (17) | Na2A—OV2ii | 2.60 (18) |
Si4—Na22iii | 3.11 (11) | Na2A—O15 | 2.79 (16) |
Si4—Na11 | 3.41 (6) | Na2A—O23ii | 2.81 (16) |
Si5—O21 | 1.56 (3) | O15—OV2A | 1.78 (18) |
| | | |
OV1—V1—O11 | 109 (2) | O22iv—Na12—V2ii | 116.1 (17) |
OV1—V1—O17i | 109 (2) | V2A—Na12—V2ii | 74.9 (13) |
O11—V1—O17i | 83 (2) | V2—Na12—V2ii | 91.4 (12) |
OV1—V1—O18i | 109 (2) | O14ii—Na12—Si7 | 92.9 (17) |
O11—V1—O18i | 142.2 (19) | O16—Na12—Si7 | 24.5 (10) |
O17i—V1—O18i | 87 (2) | O13iv—Na12—Si7 | 72.1 (18) |
OV1—V1—O12 | 101 (2) | O15ii—Na12—Si7 | 130 (2) |
O11—V1—O12 | 85 (2) | O22iv—Na12—Si7 | 60.9 (13) |
O17i—V1—O12 | 150.2 (19) | V2A—Na12—Si7 | 58.6 (11) |
O18i—V1—O12 | 85.7 (19) | V2—Na12—Si7 | 57.4 (11) |
OV1—V1—Na11 | 86.3 (18) | V2ii—Na12—Si7 | 91.9 (14) |
O11—V1—Na11 | 49.1 (16) | O14ii—Na12—Si5iv | 131 (2) |
O17i—V1—Na11 | 49.5 (16) | O16—Na12—Si5iv | 72.4 (18) |
O18i—V1—Na11 | 136.6 (19) | O13iv—Na12—Si5iv | 24.6 (10) |
O12—V1—Na11 | 132.3 (19) | O15ii—Na12—Si5iv | 88.9 (15) |
OV1—V1—Na21i | 154 (2) | O22iv—Na12—Si5iv | 59.5 (13) |
O11—V1—Na21i | 55.0 (16) | V2A—Na12—Si5iv | 89.7 (15) |
O17i—V1—Na21i | 53.3 (16) | V2—Na12—Si5iv | 99.0 (15) |
O18i—V1—Na21i | 90.4 (16) | V2ii—Na12—Si5iv | 58.6 (10) |
O12—V1—Na21i | 97.8 (17) | Si7—Na12—Si5iv | 52.2 (10) |
Na11—V1—Na21i | 67.5 (11) | O14ii—Na12—Si6ii | 23.8 (10) |
OV1—V1—Na11i | 114 (2) | O16—Na12—Si6ii | 91.8 (17) |
O11—V1—Na11i | 119.4 (17) | O13iv—Na12—Si6ii | 125 (2) |
O17i—V1—Na11i | 119.1 (17) | O15ii—Na12—Si6ii | 73.4 (15) |
O18i—V1—Na11i | 38.9 (15) | O22iv—Na12—Si6ii | 153.6 (16) |
O12—V1—Na11i | 47.0 (15) | V2A—Na12—Si6ii | 60.6 (12) |
Na11—V1—Na11i | 160.1 (10) | V2—Na12—Si6ii | 58.9 (10) |
Na21i—V1—Na11i | 92.6 (11) | V2ii—Na12—Si6ii | 89.7 (14) |
V2A—V2—OV2 | 149 (5) | Si7—Na12—Si6ii | 116.3 (14) |
V2A—V2—O16 | 84 (3) | Si5iv—Na12—Si6ii | 142.4 (17) |
OV2—V2—O16 | 116 (5) | O14ii—Na12—V2Aii | 108 (2) |
V2A—V2—O13ii | 71 (3) | O16—Na12—V2Aii | 107 (2) |
OV2—V2—O13ii | 88 (4) | O13iv—Na12—V2Aii | 32.7 (12) |
O16—V2—O13ii | 155 (2) | O15ii—Na12—V2Aii | 32.0 (13) |
V2A—V2—O14ii | 88 (3) | O22iv—Na12—V2Aii | 108.3 (16) |
OV2—V2—O14ii | 115 (5) | V2A—Na12—V2Aii | 91.2 (12) |
O16—V2—O14ii | 84 (2) | V2—Na12—V2Aii | 107.7 (15) |
O13ii—V2—O14ii | 90 (2) | V2ii—Na12—V2Aii | 16.3 (7) |
V2A—V2—O15 | 64 (3) | Si7—Na12—V2Aii | 100.5 (15) |
OV2—V2—O15 | 91 (5) | Si5iv—Na12—V2Aii | 57.3 (10) |
O16—V2—O15 | 91 (2) | Si6ii—Na12—V2Aii | 98.1 (14) |
O13ii—V2—O15 | 82.8 (19) | OV1—Na21—O44x | 149 (3) |
O14ii—V2—O15 | 152 (2) | OV1—Na21—O17 | 103 (3) |
V2A—V2—Na22 | 21 (3) | O44x—Na21—O17 | 104.3 (17) |
OV2—V2—Na22 | 128 (4) | OV1—Na21—O11v | 101 (2) |
O16—V2—Na22 | 100 (2) | O44x—Na21—O11v | 82.8 (18) |
O13ii—V2—Na22 | 57 (2) | O17—Na21—O11v | 55.7 (15) |
O14ii—V2—Na22 | 104 (2) | OV1—Na21—O21x | 106.0 (18) |
O15—V2—Na22 | 50.6 (18) | O44x—Na21—O21x | 55.8 (15) |
V2A—V2—Na2A | 23 (3) | O17—Na21—O21x | 144 (2) |
OV2—V2—Na2A | 128 (5) | O11v—Na21—O21x | 135 (2) |
O16—V2—Na2A | 106 (3) | OV1—Na21—Si5x | 135 (2) |
O13ii—V2—Na2A | 50 (3) | O44x—Na21—Si5x | 29.7 (9) |
O14ii—V2—Na2A | 97 (3) | O17—Na21—Si5x | 120.3 (18) |
O15—V2—Na2A | 59 (3) | O11v—Na21—Si5x | 112.5 (18) |
Na22—V2—Na2A | 9 (3) | O21x—Na21—Si5x | 29.0 (8) |
V2A—V2—Na12 | 80 (3) | OV1—Na21—V1v | 83 (2) |
OV2—V2—Na12 | 131 (4) | O44x—Na21—V1v | 113.0 (15) |
O16—V2—Na12 | 42.2 (16) | O17—Na21—V1v | 35.8 (12) |
O13ii—V2—Na12 | 124.9 (18) | O11v—Na21—V1v | 33.5 (10) |
O14ii—V2—Na12 | 42.3 (15) | O21x—Na21—V1v | 168.4 (19) |
O15—V2—Na12 | 124.1 (18) | Si5x—Na21—V1v | 141.0 (13) |
Na22—V2—Na12 | 100.9 (18) | OV1—Na21—Na11v | 137 (3) |
Na2A—V2—Na12 | 100 (3) | O44x—Na21—Na11v | 63.6 (14) |
V2A—V2—Na12iii | 86 (3) | O17—Na21—Na11v | 42.3 (14) |
OV2—V2—Na12iii | 63 (4) | O11v—Na21—Na11v | 42.3 (13) |
O16—V2—Na12iii | 139 (2) | O21x—Na21—Na11v | 116.2 (19) |
O13ii—V2—Na12iii | 46.4 (15) | Si5x—Na21—Na11v | 87.2 (14) |
O14ii—V2—Na12iii | 136 (2) | V1v—Na21—Na11v | 54.8 (12) |
O15—V2—Na12iii | 49.5 (15) | Na2A—Na22—OV2A | 127 (10) |
Na22—V2—Na12iii | 65.0 (18) | Na2A—Na22—V2A | 88 (10) |
Na2A—V2—Na12iii | 66 (3) | OV2A—Na22—V2A | 44 (6) |
Na12—V2—Na12iii | 165.7 (15) | Na2A—Na22—O43ii | 58 (10) |
V2—V2A—OV2A | 147 (8) | OV2A—Na22—O43ii | 155 (10) |
V2—V2A—O15 | 88 (4) | V2A—Na22—O43ii | 121 (4) |
OV2A—V2A—O15 | 61 (7) | Na2A—Na22—O15 | 122 (10) |
V2—V2A—O13ii | 80 (3) | OV2A—Na22—O15 | 43 (9) |
OV2A—V2A—O13ii | 108 (8) | V2A—Na22—O15 | 45 (2) |
O15—V2A—O13ii | 91 (2) | O43ii—Na22—O15 | 111 (4) |
V2—V2A—O16 | 68 (3) | Na2A—Na22—OV2ii | 82 (10) |
OV2A—V2A—O16 | 102 (8) | OV2A—Na22—OV2ii | 58 (10) |
O15—V2A—O16 | 93 (3) | V2A—Na22—OV2ii | 60 (3) |
O13ii—V2A—O16 | 148 (3) | O43ii—Na22—OV2ii | 140 (4) |
V2—V2A—O14ii | 66 (3) | O15—Na22—OV2ii | 95 (4) |
OV2A—V2A—O14ii | 145 (6) | Na2A—Na22—O13ii | 60 (10) |
O15—V2A—O14ii | 154 (3) | OV2A—Na22—O13ii | 85 (8) |
O13ii—V2A—O14ii | 87 (2) | V2A—Na22—O13ii | 44 (2) |
O16—V2A—O14ii | 76 (2) | O43ii—Na22—O13ii | 78 (3) |
V2—V2A—Na22 | 150 (4) | O15—Na22—O13ii | 62 (3) |
OV2A—V2A—Na22 | 31 (7) | OV2ii—Na22—O13ii | 90 (4) |
O15—V2A—Na22 | 72 (3) | Na2A—Na22—O23ii | 78 (10) |
O13ii—V2A—Na22 | 79 (3) | OV2A—Na22—O23ii | 143 (9) |
O16—V2A—Na22 | 133 (3) | V2A—Na22—O23ii | 163 (4) |
O14ii—V2A—Na22 | 133 (3) | O43ii—Na22—O23ii | 59 (2) |
V2—V2A—Na2A | 148 (5) | O15—Na22—O23ii | 152 (3) |
OV2A—V2A—Na2A | 43 (8) | OV2ii—Na22—O23ii | 108 (4) |
O15—V2A—Na2A | 82 (4) | O13ii—Na22—O23ii | 131 (4) |
O13ii—V2A—Na2A | 70 (4) | Na2A—Na22—Si4ii | 77 (10) |
O16—V2A—Na2A | 142 (4) | OV2A—Na22—Si4ii | 156 (8) |
O14ii—V2A—Na2A | 122 (4) | V2A—Na22—Si4ii | 153 (4) |
Na22—V2A—Na2A | 13 (4) | O43ii—Na22—Si4ii | 32.0 (15) |
V2—V2A—Na12 | 84 (3) | O15—Na22—Si4ii | 127 (3) |
OV2A—V2A—Na12 | 111 (7) | OV2ii—Na22—Si4ii | 138 (4) |
O15—V2A—Na12 | 136 (2) | O13ii—Na22—Si4ii | 110 (3) |
O13ii—V2A—Na12 | 130 (2) | O23ii—Na22—Si4ii | 31.4 (12) |
O16—V2A—Na12 | 43.9 (16) | Na2A—Na22—V2 | 89 (10) |
O14ii—V2A—Na12 | 43.8 (15) | OV2A—Na22—V2 | 48 (7) |
Na22—V2A—Na12 | 126 (3) | V2A—Na22—V2 | 8.6 (11) |
Na2A—V2A—Na12 | 124 (4) | O43ii—Na22—V2 | 114 (3) |
V2—V2A—Na12iii | 77 (3) | O15—Na22—V2 | 39.9 (19) |
OV2A—V2A—Na12iii | 86 (7) | OV2ii—Na22—V2 | 68 (3) |
O15—V2A—Na12iii | 46.9 (17) | O13ii—Na22—V2 | 38.0 (17) |
O13ii—V2A—Na12iii | 44.1 (16) | O23ii—Na22—V2 | 167 (3) |
O16—V2A—Na12iii | 128 (2) | Si4ii—Na22—V2 | 146 (3) |
O14ii—V2A—Na12iii | 123.4 (19) | Na2A—Na22—Na12iii | 91 (10) |
Na22—V2A—Na12iii | 73 (2) | OV2A—Na22—Na12iii | 89 (10) |
Na2A—V2A—Na12iii | 73 (4) | V2A—Na22—Na12iii | 68 (3) |
Na12—V2A—Na12iii | 161.1 (17) | O43ii—Na22—Na12iii | 66 (2) |
O18—Si1—O23 | 110.3 (15) | O15—Na22—Na12iii | 46.4 (18) |
O18—Si1—O42 | 111.8 (16) | OV2ii—Na22—Na12iii | 127 (4) |
O23—Si1—O42 | 108.1 (14) | O13ii—Na22—Na12iii | 43.9 (19) |
O18—Si1—O34 | 107.9 (15) | O23ii—Na22—Na12iii | 121 (3) |
O23—Si1—O34 | 108.4 (15) | Si4ii—Na22—Na12iii | 90 (2) |
O42—Si1—O34 | 110.2 (15) | V2—Na22—Na12iii | 59.6 (19) |
O18—Si1—Na11 | 36.9 (17) | Na22—Na2A—OV2A | 38 (10) |
O23—Si1—Na11 | 82.9 (15) | Na22—Na2A—O43ii | 110 (10) |
O42—Si1—Na11 | 146.7 (19) | OV2A—Na2A—O43ii | 140 (10) |
O34—Si1—Na11 | 94.9 (17) | Na22—Na2A—V2A | 79 (10) |
O17—Si2—O42 | 111.2 (15) | OV2A—Na2A—V2A | 45 (5) |
O17—Si2—O22iv | 109.8 (15) | O43ii—Na2A—V2A | 130 (6) |
O42—Si2—O22iv | 107.8 (15) | Na22—Na2A—O13ii | 109 (10) |
O17—Si2—O33 | 111.5 (16) | OV2A—Na2A—O13ii | 87 (7) |
O42—Si2—O33 | 109.3 (15) | O43ii—Na2A—O13ii | 87 (5) |
O22iv—Si2—O33 | 107.1 (14) | V2A—Na2A—O13ii | 46 (3) |
O17—Si2—Na11v | 39.8 (17) | Na22—Na2A—OV2ii | 86 (10) |
O42—Si2—Na11v | 146.0 (17) | OV2A—Na2A—OV2ii | 58 (8) |
O22iv—Si2—Na11v | 77.7 (15) | O43ii—Na2A—OV2ii | 162 (7) |
O33—Si2—Na11v | 100.4 (16) | V2A—Na2A—OV2ii | 59 (4) |
O12—Si3—O43 | 113.6 (16) | O13ii—Na2A—OV2ii | 96 (6) |
O12—Si3—O22 | 112.3 (17) | Na22—Na2A—O15 | 49 (10) |
O43—Si3—O22 | 105.8 (15) | OV2A—Na2A—O15 | 37 (6) |
O12—Si3—O31 | 110.5 (17) | O43ii—Na2A—O15 | 108 (6) |
O43—Si3—O31 | 107.4 (16) | V2A—Na2A—O15 | 41 (3) |
O22—Si3—O31 | 106.7 (15) | O13ii—Na2A—O15 | 60 (4) |
O12—Si3—Na2Aiii | 132 (3) | OV2ii—Na2A—O15 | 88 (5) |
O43—Si3—Na2Aiii | 35 (3) | Na22—Na2A—O23ii | 91 (10) |
O22—Si3—Na2Aiii | 112 (3) | OV2A—Na2A—O23ii | 123 (8) |
O31—Si3—Na2Aiii | 73 (3) | O43ii—Na2A—O23ii | 62 (4) |
O23—Si4—O11 | 112.9 (16) | V2A—Na2A—O23ii | 166 (6) |
O23—Si4—O32vi | 109.1 (15) | O13ii—Na2A—O23ii | 148 (6) |
O11—Si4—O32vi | 110.5 (15) | OV2ii—Na2A—O23ii | 111 (5) |
O23—Si4—O43 | 106.0 (14) | O15—Na2A—O23ii | 136 (6) |
O11—Si4—O43 | 108.2 (15) | Na22—Na2A—Si4ii | 94 (10) |
O32vi—Si4—O43 | 110.1 (14) | OV2A—Na2A—Si4ii | 131 (9) |
O23—Si4—Na2Aiii | 66 (3) | O43ii—Na2A—Si4ii | 32 (3) |
O11—Si4—Na2Aiii | 142 (3) | V2A—Na2A—Si4ii | 156 (6) |
O32vi—Si4—Na2Aiii | 104 (3) | O13ii—Na2A—Si4ii | 119 (5) |
O43—Si4—Na2Aiii | 45 (3) | OV2ii—Na2A—Si4ii | 143 (6) |
O23—Si4—Na22iii | 66 (2) | O15—Na2A—Si4ii | 119 (6) |
O11—Si4—Na22iii | 152 (2) | O23ii—Na2A—Si4ii | 32.2 (19) |
O32vi—Si4—Na22iii | 95.2 (19) | Na22—Na2A—V2 | 82 (10) |
O43—Si4—Na22iii | 50 (2) | OV2A—Na2A—V2 | 51 (5) |
Na2Aiii—Si4—Na22iii | 10 (3) | O43ii—Na2A—V2 | 121 (5) |
O23—Si4—Na11 | 83.1 (15) | V2A—Na2A—V2 | 9.1 (14) |
O11—Si4—Na11 | 41.7 (18) | O13ii—Na2A—V2 | 38 (2) |
O32vi—Si4—Na11 | 95.5 (17) | OV2ii—Na2A—V2 | 68 (4) |
O43—Si4—Na11 | 147 (2) | O15—Na2A—V2 | 39 (2) |
Na2Aiii—Si4—Na11 | 147 (3) | O23ii—Na2A—V2 | 173 (5) |
Na22iii—Si4—Na11 | 149.1 (18) | Si4ii—Na2A—V2 | 149 (5) |
O21—Si5—O13 | 114.3 (17) | Na22—Na2A—Si5ii | 134 (10) |
O21—Si5—O44 | 106.2 (15) | OV2A—Na2A—Si5ii | 111 (7) |
O13—Si5—O44 | 108.5 (16) | O43ii—Na2A—Si5ii | 74 (4) |
O21—Si5—O31 | 109.9 (15) | V2A—Na2A—Si5ii | 67 (4) |
O13—Si5—O31 | 109.8 (16) | O13ii—Na2A—Si5ii | 25.7 (16) |
O44—Si5—O31 | 107.9 (14) | OV2ii—Na2A—Si5ii | 100 (6) |
O21—Si5—Na21vii | 61.6 (14) | O15—Na2A—Si5ii | 86 (4) |
O13—Si5—Na21vii | 150.5 (19) | O23ii—Na2A—Si5ii | 126 (5) |
O44—Si5—Na21vii | 52.1 (15) | Si4ii—Na2A—Si5ii | 105 (4) |
O31—Si5—Na21vii | 98.3 (17) | V2—Na2A—Si5ii | 60 (3) |
O21—Si5—Na2Aiii | 148 (3) | Na22—Na2A—Si3ii | 130 (10) |
O13—Si5—Na2Aiii | 44 (3) | OV2A—Na2A—Si3ii | 146 (9) |
O44—Si5—Na2Aiii | 104 (3) | O43ii—Na2A—Si3ii | 24.5 (18) |
O31—Si5—Na2Aiii | 70 (3) | V2A—Na2A—Si3ii | 114 (5) |
Na21vii—Si5—Na2Aiii | 150 (3) | O13ii—Na2A—Si3ii | 68 (3) |
O21—Si5—Na12viii | 84.7 (16) | OV2ii—Na2A—Si3ii | 143 (6) |
O13—Si5—Na12viii | 40.9 (17) | O15—Na2A—Si3ii | 109 (4) |
O44—Si5—Na12viii | 147.3 (19) | O23ii—Na2A—Si3ii | 80 (4) |
O31—Si5—Na12viii | 96.5 (17) | Si4ii—Na2A—Si3ii | 55 (3) |
Na21vii—Si5—Na12viii | 146.1 (12) | V2—Na2A—Si3ii | 105 (4) |
Na2Aiii—Si5—Na12viii | 64 (3) | Si5ii—Na2A—Si3ii | 51 (2) |
O14—Si6—O24 | 112.0 (16) | Si4—O11—V1 | 142 (3) |
O14—Si6—O44 | 111.2 (16) | Si4—O11—Na11 | 112 (2) |
O24—Si6—O44 | 106.7 (14) | V1—O11—Na11 | 96 (2) |
O14—Si6—O32 | 111.0 (16) | Si4—O11—Na21i | 113 (2) |
O24—Si6—O32 | 108.5 (14) | V1—O11—Na21i | 91.4 (19) |
O44—Si6—O32 | 107.2 (14) | Na11—O11—Na21i | 89.1 (17) |
O14—Si6—Na12iii | 35.0 (17) | Si3—O12—V1 | 139 (3) |
O24—Si6—Na12iii | 81.9 (15) | Si3—O12—Na11i | 116 (2) |
O44—Si6—Na12iii | 140.2 (17) | V1—O12—Na11i | 98 (2) |
O32—Si6—Na12iii | 106.5 (16) | Si5—O13—V2Aiii | 142 (3) |
O16—Si7—O41 | 111.0 (16) | Si5—O13—V2iii | 138 (3) |
O16—Si7—O21iv | 111.1 (16) | V2Aiii—O13—V2iii | 28.7 (14) |
O41—Si7—O21iv | 106.1 (14) | Si5—O13—Na2Aiii | 111 (4) |
O16—Si7—O33 | 109.9 (15) | V2Aiii—O13—Na2Aiii | 64 (4) |
O41—Si7—O33 | 110.3 (14) | V2iii—O13—Na2Aiii | 92 (4) |
O21iv—Si7—O33 | 108.4 (14) | Si5—O13—Na12viii | 115 (2) |
O16—Si7—Na12 | 36.9 (17) | V2Aiii—O13—Na12viii | 103 (2) |
O41—Si7—Na12 | 144.9 (18) | V2iii—O13—Na12viii | 98 (2) |
O21iv—Si7—Na12 | 83.4 (15) | Na2Aiii—O13—Na12viii | 93 (4) |
O33—Si7—Na12 | 97.8 (16) | Si5—O13—Na22iii | 121 (3) |
O15—Si8—O41 | 113.0 (16) | V2Aiii—O13—Na22iii | 58 (3) |
O15—Si8—O24 | 110.9 (16) | V2iii—O13—Na22iii | 85 (3) |
O41—Si8—O24 | 107.0 (15) | Na2Aiii—O13—Na22iii | 11 (4) |
O15—Si8—O34ix | 111.1 (16) | Na12viii—O13—Na22iii | 86 (2) |
O41—Si8—O34ix | 109.0 (15) | Si6—O14—V2iii | 134 (3) |
O24—Si8—O34ix | 105.5 (14) | Si6—O14—V2Aiii | 126 (2) |
O18—Na11—O11 | 85 (2) | V2iii—O14—V2Aiii | 25.9 (12) |
O18—Na11—O17i | 122 (3) | Si6—O14—Na12iii | 121 (2) |
O11—Na11—O17i | 62.0 (17) | V2iii—O14—Na12iii | 102 (2) |
O18—Na11—O12v | 67.1 (16) | V2Aiii—O14—Na12iii | 95 (2) |
O11—Na11—O12v | 126 (3) | Si8—O15—OV2A | 113 (7) |
O17i—Na11—O12v | 94 (2) | Si8—O15—V2A | 137 (3) |
O18—Na11—O24vi | 81.7 (19) | OV2A—O15—V2A | 55 (4) |
O11—Na11—O24vi | 85 (2) | Si8—O15—V2 | 128 (2) |
O17i—Na11—O24vi | 134.6 (18) | OV2A—O15—V2 | 82 (4) |
O12v—Na11—O24vi | 131.8 (17) | V2A—O15—V2 | 28.0 (15) |
O18—Na11—V1 | 89 (2) | Si8—O15—Na22 | 128 (3) |
O11—Na11—V1 | 34.7 (12) | OV2A—O15—Na22 | 29 (7) |
O17i—Na11—V1 | 37.2 (13) | V2A—O15—Na22 | 63 (3) |
O12v—Na11—V1 | 96.4 (19) | V2—O15—Na22 | 90 (2) |
O24vi—Na11—V1 | 119.5 (18) | Si8—O15—Na12iii | 118 (2) |
O18—Na11—Si4 | 72.3 (18) | OV2A—O15—Na12iii | 117 (8) |
O11—Na11—Si4 | 26.6 (9) | V2A—O15—Na12iii | 101 (2) |
O17i—Na11—Si4 | 88.3 (15) | V2—O15—Na12iii | 93 (2) |
O12v—Na11—Si4 | 133 (2) | Na22—O15—Na12iii | 89 (3) |
O24vi—Na11—Si4 | 60.6 (14) | Si8—O15—Na2A | 138 (4) |
V1—Na11—Si4 | 59.6 (10) | OV2A—O15—Na2A | 33 (8) |
O18—Na11—Si1 | 24.6 (10) | V2A—O15—Na2A | 57 (4) |
O11—Na11—Si1 | 73.4 (17) | V2—O15—Na2A | 82 (4) |
O17i—Na11—Si1 | 128 (2) | Na22—O15—Na2A | 9 (4) |
O12v—Na11—Si1 | 91.3 (15) | Na12iii—O15—Na2A | 84 (3) |
O24vi—Na11—Si1 | 59.8 (13) | Si7—O16—V2 | 136 (3) |
V1—Na11—Si1 | 90.7 (15) | Si7—O16—V2A | 130 (3) |
Si4—Na11—Si1 | 53.3 (10) | V2—O16—V2A | 28.3 (13) |
O18—Na11—Si2i | 125 (2) | Si7—O16—Na12 | 119 (2) |
O11—Na11—Si2i | 86.8 (16) | V2—O16—Na12 | 105 (2) |
O17i—Na11—Si2i | 25.2 (9) | V2A—O16—Na12 | 99 (2) |
O12v—Na11—Si2i | 74.5 (15) | Si2—O17—V1v | 129 (3) |
O24vi—Na11—Si2i | 151.1 (17) | Si2—O17—Na11v | 115 (2) |
V1—Na11—Si2i | 57.7 (10) | V1v—O17—Na11v | 93 (2) |
Si4—Na11—Si2i | 113.3 (13) | Si2—O17—Na21 | 128 (2) |
Si1—Na11—Si2i | 142.4 (18) | V1v—O17—Na21 | 90.9 (19) |
O18—Na11—V1v | 32.0 (12) | Na11v—O17—Na21 | 90.5 (16) |
O11—Na11—V1v | 105 (2) | Si1—O18—V1v | 132 (2) |
O17i—Na11—V1v | 109.7 (19) | Si1—O18—Na11 | 118 (2) |
O12v—Na11—V1v | 35.2 (11) | V1v—O18—Na11 | 109 (2) |
O24vi—Na11—V1v | 108.3 (15) | Si5—O21—Si7viii | 140 (2) |
V1—Na11—V1v | 91.0 (14) | Si5—O21—Na21vii | 89.4 (16) |
Si4—Na11—V1v | 101.0 (14) | Si7viii—O21—Na21vii | 131.0 (18) |
Si1—Na11—V1v | 56.5 (9) | Si3—O22—Si2viii | 152 (2) |
Si2i—Na11—V1v | 100.6 (14) | Si3—O22—Na12viii | 105.3 (17) |
O18—Na11—Na21i | 133 (2) | Si2viii—O22—Na12viii | 100.9 (17) |
O11—Na11—Na21i | 48.6 (14) | Si4—O23—Si1 | 140 (2) |
O17i—Na11—Na21i | 47.2 (13) | Si4—O23—Na2Aiii | 82 (3) |
O12v—Na11—Na21i | 140 (2) | Si1—O23—Na2Aiii | 135 (4) |
O24vi—Na11—Na21i | 87.8 (17) | Si4—O23—Na22iii | 83 (2) |
V1—Na11—Na21i | 57.8 (11) | Si1—O23—Na22iii | 137 (2) |
Si4—Na11—Na21i | 63.1 (12) | Na2Aiii—O23—Na22iii | 11 (4) |
Si1—Na11—Na21i | 116.3 (18) | Si8—O24—Si6 | 148 (2) |
Si2i—Na11—Na21i | 66.2 (13) | Si8—O24—Na11ix | 106.0 (17) |
V1v—Na11—Na21i | 149 (2) | Si6—O24—Na11ix | 106.1 (17) |
O14ii—Na12—O16 | 68.4 (18) | Si3—O31—Si5 | 126 (2) |
O14ii—Na12—O13iv | 125 (3) | Si4ix—O32—Si6 | 122 (2) |
O16—Na12—O13iv | 87 (2) | Si7—O33—Si2 | 121 (2) |
O14ii—Na12—O15ii | 92 (2) | Si8vi—O34—Si1 | 123 (2) |
O16—Na12—O15ii | 127 (3) | Si8—O41—Si7 | 130 (2) |
O13iv—Na12—O15ii | 64.5 (16) | Si1—O42—Si2 | 128 (2) |
O14ii—Na12—O22iv | 138.1 (19) | Si3—O43—Si4 | 127 (2) |
O16—Na12—O22iv | 82 (2) | Si3—O43—Na2Aiii | 121 (4) |
O13iv—Na12—O22iv | 80.4 (19) | Si4—O43—Na2Aiii | 103 (4) |
O15ii—Na12—O22iv | 130.3 (17) | Si3—O43—Na22iii | 130 (3) |
O14ii—Na12—V2A | 41.4 (15) | Si4—O43—Na22iii | 98 (3) |
O16—Na12—V2A | 37.0 (14) | Na2Aiii—O43—Na22iii | 12 (5) |
O13iv—Na12—V2A | 90 (2) | Si5—O44—Si6 | 133 (2) |
O15ii—Na12—V2A | 96.2 (19) | Si5—O44—Na21vii | 98.2 (18) |
O22iv—Na12—V2A | 118.8 (19) | Si6—O44—Na21vii | 119.0 (19) |
O14ii—Na12—V2 | 35.9 (14) | V1—OV1—Na21 | 172 (3) |
O16—Na12—V2 | 32.9 (13) | V2—OV2—Na2Aiii | 143 (7) |
O13iv—Na12—V2 | 104 (2) | V2—OV2—Na22iii | 143 (7) |
O15ii—Na12—V2 | 109.9 (19) | Na2Aiii—OV2—Na22iii | 12 (4) |
O22iv—Na12—V2 | 112.2 (17) | Na22—OV2A—Na2A | 15 (9) |
V2A—Na12—V2 | 16.6 (7) | Na22—OV2A—V2A | 105 (10) |
O14ii—Na12—V2ii | 95.3 (19) | Na2A—OV2A—V2A | 92 (10) |
O16—Na12—V2ii | 94 (2) | Na22—OV2A—O15 | 108 (10) |
O13iv—Na12—V2ii | 35.8 (13) | Na2A—OV2A—O15 | 110 (10) |
O15ii—Na12—V2ii | 37.8 (14) | V2A—OV2A—O15 | 65 (5) |
Symmetry codes: (i) −x, y+1/2, −z; (ii) −x+1, y−1/2, −z+1; (iii) −x+1, y+1/2, −z+1; (iv) x, y−1, z; (v) −x, y−1/2, −z; (vi) x, y, z−1; (vii) −x, y+1/2, −z+1; (viii) x, y+1, z; (ix) x, y, z+1; (x) −x, y−1/2, −z+1. |