Structure 1528557

1528556 << 1528557 >> 1528558
Original COD entry Download CIF Download DOT

Citation: Hansen, M.R.; Madsen, G.K.H.; Jakobsen, H.J.; Skibsted, J. (2006). Evaluation of 27.Al and 51.V electric field gradients and the crystal structure for aluminum orthovanadate (Al V O4) by density functional theory calculations. J. Phys. Chem. B, 110, pp. 5975-5983.

Formula: Al O4 V

Chemical name: Al V O4

Cell parameters:

  • a = 6.538 Å
  • b = 7.756 Å
  • c = 9.131 Å
  • α = 96.17°
  • β = 107.23°
  • γ = 101.4°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: Al6 O24 V6 (Al O4 V)

Multiplicity: 1

Coordination sequences:

  • 2, 9, 13, 40, 52, 98, 118, 179, 195, 282
  • 2, 9, 14, 41, 47, 104, 111, 187, 190, 275
  • 2, 9, 14, 41, 50, 106, 109, 187, 197, 278
  • 2, 9, 14, 46, 61, 107, 113, 170, 203, 294
  • 2, 9, 17, 43, 59, 86, 121, 178, 230, 284
  • 2, 10, 18, 43, 51, 89, 112, 181, 218, 279
  • 2, 10, 19, 48, 59, 98, 122, 185, 217, 297
  • 3, 12, 14, 41, 45, 104, 119, 182, 194, 285
  • 3, 12, 17, 48, 58, 115, 121, 184, 202, 302
  • 3, 13, 19, 45, 54, 95, 128, 181, 225, 280
  • 3, 13, 20, 48, 60, 97, 131, 191, 212, 301
  • 3, 14, 18, 45, 46, 102, 123, 189, 207, 276
  • 4, 5, 29, 42, 61, 82, 137, 186, 236, 278
  • 4, 6, 28, 31, 67, 68, 156, 168, 229, 253
  • 4, 6, 32, 45, 75, 89, 143, 165, 251, 264
  • 7, 10, 25, 33, 87, 97, 148, 156, 240, 268
  • 7, 14, 26, 38, 70, 103, 140, 176, 244, 283
  • 8, 15, 30, 37, 73, 99, 146, 181, 246, 266
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