Structure 7232186

7232185 << 7232186 >> 7232189
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: Ca5.606 O28 Pb4.894 V7

Cell parameters:

  • a = 11.0594(11) Å
  • b = 11.0594(11) Å
  • c = 38.8813(14) 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: Ca36 O168 Pb78 V42 (Ca6 O28 Pb13 V7)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 6, 33, 33, 82, 66, 189, 150, 342
  • 1, 5, 7, 24, 31, 99, 85, 154, 155, 334
  • 1, 6, 12, 36, 32, 102, 82, 205, 164, 350
  • 2, 6, 13, 32, 46, 77, 124, 160, 219, 280
  • 2, 8, 10, 41, 45, 123, 102, 198, 190, 360
  • 2, 8, 11, 45, 47, 121, 95, 219, 201, 375
  • 2, 9, 13, 36, 49, 117, 107, 204, 194, 356
  • 3, 10, 14, 46, 44, 120, 106, 237, 188, 382
  • 3, 13, 16, 50, 53, 117, 106, 231, 217, 367
  • 3, 13, 17, 54, 41, 122, 101, 260, 185, 389
  • 3, 14, 16, 53, 48, 133, 104, 253, 193, 421
  • 3, 15, 18, 50, 53, 132, 110, 253, 201, 404
  • 3, 15, 18, 51, 49, 109, 99, 264, 186, 363
  • 3, 15, 21, 56, 45, 140, 115, 255, 208, 401
  • 4, 6, 31, 32, 77, 70, 191, 158, 279, 276
  • 4, 6, 33, 33, 82, 66, 189, 150, 342, 261
  • 5, 9, 28, 37, 73, 81, 198, 159, 298, 272
  • 6, 7, 24, 31, 99, 85, 154, 155, 334, 288
  • 6, 10, 30, 34, 79, 80, 185, 166, 308, 267
  • 7, 12, 36, 32, 102, 82, 205, 164, 350, 268
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