Structure 7232185

7232184 << 7232185 >> 7232186
Original COD entry Download CIF Download DOT

Citation: Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I. (2019). Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9. CrystEngComm, 21, pp. 1309-.

Formula: Ca6.983 O28 Pb3.517 V7

Cell parameters:

  • a = 10.9801(9) Å
  • b = 10.9801(9) Å
  • c = 38.5568(12) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Ca54 O168 Pb84 V42 (Ca9 O28 Pb14 V7)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 9, 24, 29, 77, 82, 177, 179, 317
  • 1, 6, 9, 32, 35, 105, 80, 216, 180, 386
  • 1, 6, 12, 42, 41, 111, 95, 230, 183, 402
  • 1, 7, 13, 39, 36, 99, 96, 237, 186, 399
  • 2, 9, 11, 44, 50, 140, 96, 239, 200, 446
  • 2, 9, 11, 45, 47, 136, 96, 252, 194, 438
  • 2, 9, 12, 49, 51, 135, 101, 282, 201, 471
  • 2, 9, 13, 51, 51, 125, 108, 255, 208, 426
  • 2, 9, 15, 55, 48, 131, 118, 260, 205, 438
  • 3, 9, 24, 29, 77, 82, 177, 179, 317, 300
  • 3, 15, 19, 63, 54, 143, 121, 282, 214, 477
  • 3, 15, 22, 59, 68, 137, 138, 275, 265, 434
  • 3, 19, 22, 59, 56, 152, 123, 307, 236, 485
  • 4, 5, 28, 31, 97, 78, 207, 150, 373, 287
  • 4, 7, 16, 30, 69, 93, 138, 234, 267, 348
  • 4, 7, 35, 37, 96, 90, 203, 171, 359, 302
  • 4, 17, 21, 59, 58, 164, 129, 282, 243, 478
  • 5, 10, 15, 42, 57, 99, 132, 240, 261, 354
  • 7, 9, 32, 35, 105, 80, 216, 180, 386, 301
  • 7, 12, 20, 52, 69, 112, 167, 257, 292, 379
  • 7, 12, 42, 41, 111, 95, 230, 183, 402, 302
  • 8, 13, 39, 36, 99, 96, 237, 186, 399, 294
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