Structure 2108347

2108346 << 2108347 >> 2108348
Original COD entry Download CIF Download DOT

Citation: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. (2018). Copper--lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets. Acta Crystallographica Section B, 74, pp. 712-724.

Formula: Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33

Cell parameters:

  • a = 38.0763(16) Å
  • b = 6.2308(3) Å
  • c = 11.1897(5) Å
  • α = 90°
  • β = 94.955(3)°
  • γ = 90°

List type: interleaving

List: 2D

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 4

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

Dimensionality: 2

Formula: Br2 Cu8 O16 Pb2 Se4 (Br Cu4 O8 Pb Se2)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 16, 38, 63, 93, 108, 140, 153, 195
  • 1, 7, 18, 34, 67, 87, 120, 124, 167, 181
  • 3, 6, 21, 36, 61, 87, 120, 124, 167, 181
  • 3, 6, 21, 38, 57, 93, 108, 140, 153, 195
  • 3, 6, 21, 38, 63, 80, 117, 134, 171, 168
  • 3, 6, 22, 39, 56, 90, 108, 144, 154, 190
  • 3, 11, 24, 50, 77, 95, 128, 152, 171, 189
  • 3, 12, 23, 48, 77, 102, 123, 148, 171, 202
  • 3, 12, 23, 49, 77, 99, 124, 152, 169, 197
  • 3, 13, 22, 46, 80, 102, 124, 142, 176, 202
  • 3, 13, 23, 47, 77, 102, 123, 148, 171, 202
  • 3, 13, 24, 44, 80, 102, 124, 142, 176, 202
  • 4, 6, 20, 34, 67, 80, 117, 134, 171, 168
  • 4, 17, 41, 63, 93, 108, 140, 153, 195, 200
  • 4, 17, 41, 69, 80, 117, 134, 171, 168, 217
  • 4, 17, 43, 62, 90, 108, 144, 154, 190, 198
  • 4, 19, 37, 67, 87, 120, 124, 167, 181, 222
  • 6, 14, 33, 53, 87, 109, 134, 150, 185, 205
  • 8, 16, 38, 63, 93, 108, 140, 153, 195, 200
  • 8, 18, 34, 67, 87, 120, 124, 167, 181, 222
  • 8, 28, 52, 77, 95, 128, 152, 171, 189, 224
  • 9, 26, 52, 77, 99, 124, 152, 169, 197, 218
  • 10, 26, 48, 80, 102, 124, 142, 176, 202, 218
  • 10, 26, 50, 77, 102, 123, 148, 171, 202, 215
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: Br2 Cu8 O16 Pb2 Se4 (Br Cu4 O8 Pb Se2)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 16, 38, 63, 93, 108, 140, 153, 195
  • 1, 7, 18, 34, 67, 87, 120, 124, 167, 181
  • 3, 6, 21, 36, 61, 87, 120, 124, 167, 181
  • 3, 6, 21, 38, 57, 93, 108, 140, 153, 195
  • 3, 6, 21, 38, 63, 80, 117, 134, 171, 168
  • 3, 6, 22, 39, 56, 90, 108, 144, 154, 190
  • 3, 11, 24, 50, 77, 95, 128, 152, 171, 189
  • 3, 12, 23, 48, 77, 102, 123, 148, 171, 202
  • 3, 12, 23, 49, 77, 99, 124, 152, 169, 197
  • 3, 13, 22, 46, 80, 102, 124, 142, 176, 202
  • 3, 13, 23, 47, 77, 102, 123, 148, 171, 202
  • 3, 13, 24, 44, 80, 102, 124, 142, 176, 202
  • 4, 6, 20, 34, 67, 80, 117, 134, 171, 168
  • 4, 17, 41, 63, 93, 108, 140, 153, 195, 200
  • 4, 17, 41, 69, 80, 117, 134, 171, 168, 217
  • 4, 17, 43, 62, 90, 108, 144, 154, 190, 198
  • 4, 19, 37, 67, 87, 120, 124, 167, 181, 222
  • 6, 14, 33, 53, 87, 109, 134, 150, 185, 205
  • 8, 16, 38, 63, 93, 108, 140, 153, 195, 200
  • 8, 18, 34, 67, 87, 120, 124, 167, 181, 222
  • 8, 28, 52, 77, 95, 128, 152, 171, 189, 224
  • 9, 26, 52, 77, 99, 124, 152, 169, 197, 218
  • 10, 26, 48, 80, 102, 124, 142, 176, 202, 218
  • 10, 26, 50, 77, 102, 123, 148, 171, 202, 215
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: Br2 Cu8 O16 Pb2 Se4 (Br Cu4 O8 Pb Se2)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 16, 38, 63, 93, 108, 140, 153, 195
  • 1, 7, 18, 34, 67, 87, 120, 124, 167, 181
  • 3, 6, 21, 36, 61, 87, 120, 124, 167, 181
  • 3, 6, 21, 38, 57, 93, 108, 140, 153, 195
  • 3, 6, 21, 38, 63, 80, 117, 134, 171, 168
  • 3, 6, 22, 39, 56, 90, 108, 144, 154, 190
  • 3, 11, 24, 50, 77, 95, 128, 152, 171, 189
  • 3, 12, 23, 48, 77, 102, 123, 148, 171, 202
  • 3, 12, 23, 49, 77, 99, 124, 152, 169, 197
  • 3, 13, 22, 46, 80, 102, 124, 142, 176, 202
  • 3, 13, 23, 47, 77, 102, 123, 148, 171, 202
  • 3, 13, 24, 44, 80, 102, 124, 142, 176, 202
  • 4, 6, 20, 34, 67, 80, 117, 134, 171, 168
  • 4, 17, 41, 63, 93, 108, 140, 153, 195, 200
  • 4, 17, 41, 69, 80, 117, 134, 171, 168, 217
  • 4, 17, 43, 62, 90, 108, 144, 154, 190, 198
  • 4, 19, 37, 67, 87, 120, 124, 167, 181, 222
  • 6, 14, 33, 53, 87, 109, 134, 150, 185, 205
  • 8, 16, 38, 63, 93, 108, 140, 153, 195, 200
  • 8, 18, 34, 67, 87, 120, 124, 167, 181, 222
  • 8, 28, 52, 77, 95, 128, 152, 171, 189, 224
  • 9, 26, 52, 77, 99, 124, 152, 169, 197, 218
  • 10, 26, 48, 80, 102, 124, 142, 176, 202, 218
  • 10, 26, 50, 77, 102, 123, 148, 171, 202, 215
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: Br2 Cu8 O16 Pb2 Se4 (Br Cu4 O8 Pb Se2)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 16, 38, 63, 93, 108, 140, 153, 195
  • 1, 7, 18, 34, 67, 87, 120, 124, 167, 181
  • 3, 6, 21, 36, 61, 87, 120, 124, 167, 181
  • 3, 6, 21, 38, 57, 93, 108, 140, 153, 195
  • 3, 6, 21, 38, 63, 80, 117, 134, 171, 168
  • 3, 6, 22, 39, 56, 90, 108, 144, 154, 190
  • 3, 11, 24, 50, 77, 95, 128, 152, 171, 189
  • 3, 12, 23, 48, 77, 102, 123, 148, 171, 202
  • 3, 12, 23, 49, 77, 99, 124, 152, 169, 197
  • 3, 13, 22, 46, 80, 102, 124, 142, 176, 202
  • 3, 13, 23, 47, 77, 102, 123, 148, 171, 202
  • 3, 13, 24, 44, 80, 102, 124, 142, 176, 202
  • 4, 6, 20, 34, 67, 80, 117, 134, 171, 168
  • 4, 17, 41, 63, 93, 108, 140, 153, 195, 200
  • 4, 17, 41, 69, 80, 117, 134, 171, 168, 217
  • 4, 17, 43, 62, 90, 108, 144, 154, 190, 198
  • 4, 19, 37, 67, 87, 120, 124, 167, 181, 222
  • 6, 14, 33, 53, 87, 109, 134, 150, 185, 205
  • 8, 16, 38, 63, 93, 108, 140, 153, 195, 200
  • 8, 18, 34, 67, 87, 120, 124, 167, 181, 222
  • 8, 28, 52, 77, 95, 128, 152, 171, 189, 224
  • 9, 26, 52, 77, 99, 124, 152, 169, 197, 218
  • 10, 26, 48, 80, 102, 124, 142, 176, 202, 218
  • 10, 26, 50, 77, 102, 123, 148, 171, 202, 215
span 1 {1 1 1}