Structure 1511655

1511654 << 1511655 >> 1511656
Original COD entry Download CIF Download DOT

Citation: Svensson, C.; Abrahams, S.C.; Bernstein, J.L. (1981). Orthorhombic phase of nickel bromine boracite Ni3 B7 O13 Br: room temperature ferroelectric- ferroelastic crystal structure. Journal of Chemical Physics, 75, pp. 1912-1918.

Formula: B7 Br Ni3 O13

Chemical name: Ni3 (B7 O13 Br)

Cell parameters:

  • a = 8.5218 Å
  • b = 8.5127 Å
  • c = 12.0408 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: B28 Br4 Ni12 O52 (B7 Br Ni3 O13)

Multiplicity: 1

Coordination sequences:

  • 3, 6, 18, 28, 65, 69, 127, 133, 237, 208
  • 3, 9, 14, 35, 46, 91, 94, 171, 163, 282
  • 3, 9, 15, 38, 47, 91, 94, 175, 171, 289
  • 3, 9, 15, 38, 48, 93, 91, 175, 169, 285
  • 3, 9, 15, 38, 48, 96, 96, 172, 168, 291
  • 3, 10, 15, 34, 44, 90, 95, 167, 157, 283
  • 3, 10, 15, 35, 45, 89, 93, 168, 163, 287
  • 3, 10, 15, 35, 45, 90, 94, 175, 165, 277
  • 3, 10, 15, 36, 45, 89, 93, 171, 167, 282
  • 3, 10, 15, 37, 45, 89, 93, 169, 164, 281
  • 3, 10, 16, 36, 43, 89, 98, 176, 162, 277
  • 3, 10, 16, 36, 44, 92, 100, 176, 165, 289
  • 3, 10, 16, 37, 48, 95, 96, 176, 169, 288
  • 3, 10, 16, 38, 46, 95, 100, 175, 165, 292
  • 3, 12, 18, 35, 43, 95, 98, 178, 178, 295
  • 4, 8, 21, 28, 58, 66, 131, 126, 221, 216
  • 4, 8, 21, 30, 64, 69, 134, 134, 237, 210
  • 4, 8, 21, 30, 64, 71, 130, 127, 232, 214
  • 4, 8, 21, 30, 65, 71, 129, 125, 229, 214
  • 4, 8, 21, 30, 66, 71, 128, 127, 232, 214
  • 5, 10, 24, 30, 65, 75, 143, 140, 234, 214
  • 5, 10, 24, 30, 66, 75, 139, 141, 244, 212
  • 5, 10, 24, 30, 66, 75, 143, 141, 239, 212
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