Structure 7063074

7063017 << 7063074 >> 7063075
Original COD entry Download CIF Download DOT

Citation: Ababaikeri, Aihaimaitijiang; Pan, Xueting; Tuniyazi, Gulimeikereyi; Jiang, Xiangzhan; Zhang, Yanhui; Malik, Dilnur (2024). Ba5Y12Zn[O(SiO4)]8: a novel non-centrosymmetric silicate with a short ultraviolet cut-off edge featuring [ZnSi4O16] and [SiO4] units. New Journal of Chemistry, 48, pp. 3594-3602.

Formula: Ba5 O40 Si8 Y12 Zn

Cell parameters:

  • a = 18.7014(6) Å
  • b = 18.7014(6) Å
  • c = 5.3640(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

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 3

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

Dimensionality: 3

Formula: O80 Si16 Y24 Zn2 (O40 Si8 Y12 Zn)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 15, 60, 121, 258, 385, 552, 771, 1007
  • 2, 17, 48, 97, 195, 314, 467, 705, 915, 1201
  • 3, 21, 54, 117, 224, 347, 511, 744, 976, 1231
  • 3, 22, 62, 134, 216, 355, 556, 742, 1009, 1255
  • 3, 23, 65, 132, 233, 380, 557, 790, 1021, 1260
  • 4, 4, 16, 48, 176, 268, 426, 592, 786, 1136
  • 4, 32, 71, 144, 260, 388, 582, 805, 1050, 1329
  • 5, 13, 51, 100, 200, 332, 478, 690, 913, 1217
  • 6, 20, 70, 138, 237, 384, 560, 807, 1052, 1292
  • 13, 43, 98, 185, 304, 467, 673, 913, 1133, 1446
  • 14, 43, 88, 186, 302, 438, 666, 883, 1157, 1429
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba2 (Ba)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba2 (Ba)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}