Structure 1527223

1527222 << 1527223 >> 1527224
Original COD entry Download CIF Download DOT

Citation: Chapuis, G.; Niggli, A. (1972). Crystal structure and crystal chemistry of a new sulfide In6.6 Ca3.1 S13. Journal of Solid State Chemistry, 5, pp. 126-130.

Formula: Ca3.1 In6.6 S13

Chemical name: In6.6 Ca3.1 S13

Cell parameters:

  • a = 37.63 Å
  • b = 3.8358 Å
  • c = 13.7129 Å
  • α = 90°
  • β = 91.65°
  • 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: Ca8 In28 S52 (Ca2 In7 S13)

Multiplicity: 1

Coordination sequences:

  • 1, 5, 9, 30, 28, 84, 64, 183, 123, 315
  • 1, 6, 9, 30, 28, 84, 57, 152, 112, 310
  • 1, 6, 11, 36, 26, 73, 57, 154, 116, 313
  • 3, 12, 13, 44, 36, 100, 74, 196, 112, 273
  • 3, 12, 14, 46, 36, 104, 69, 173, 125, 340
  • 3, 12, 14, 46, 37, 105, 68, 171, 125, 341
  • 3, 12, 14, 53, 51, 142, 94, 233, 148, 379
  • 3, 14, 14, 44, 38, 109, 72, 196, 146, 376
  • 3, 14, 15, 48, 46, 128, 88, 245, 156, 379
  • 3, 14, 16, 48, 34, 97, 72, 193, 138, 361
  • 3, 14, 17, 50, 38, 115, 78, 207, 140, 354
  • 3, 15, 17, 52, 41, 117, 88, 228, 146, 366
  • 4, 18, 18, 56, 45, 120, 84, 227, 132, 342
  • 5, 18, 19, 58, 44, 131, 92, 252, 164, 403
  • 5, 20, 17, 51, 39, 104, 76, 218, 159, 390
  • 6, 7, 24, 25, 78, 53, 137, 97, 252, 150
  • 6, 8, 30, 31, 95, 72, 187, 125, 309, 178
  • 6, 9, 30, 24, 73, 52, 137, 99, 263, 187
  • 6, 9, 30, 28, 84, 64, 183, 123, 315, 201
  • 6, 10, 38, 28, 74, 66, 180, 104, 256, 164
  • 6, 12, 36, 28, 86, 64, 186, 124, 304, 196
  • 7, 9, 30, 28, 84, 57, 152, 112, 310, 177
  • 7, 11, 36, 26, 73, 57, 154, 116, 313, 187
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