Structure 9010103

9010102 << 9010103 >> 9010104
Original COD entry Download CIF Download DOT

Citation: Krivovichev, S. V.; Chernyshov, D. Y.; Dobelin, N.; Armbruster, T.; Kahlenberg, V.; Kaindl, R.; Tessadri, R.; Kaltenhauser, G. (2006). Crystal chemistry and polytypism of tyrolite Sample: Brixlegg, Schwaz, Tyrol, Austria Note: Tyrolite-2M polytype. American Mineralogist, 91, pp. 1378-1384.

Formula: As4 Ca2 Cu9 H23.92 O38.42

Cell parameters:

  • a = 54.520 Å
  • b = 5.5638 Å
  • c = 10.4647 Å
  • α = 90°
  • β = 96.432°
  • 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 2

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

Dimensionality: 2

Formula: As8 Cu18 O60 (As4 Cu9 O30)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 4, 23, 38, 49, 71, 114, 131, 185
  • 1, 7, 12, 29, 43, 80, 94, 138, 185, 232
  • 1, 8, 16, 27, 38, 73, 92, 127, 171, 229
  • 2, 10, 16, 26, 54, 91, 141, 199, 245, 269
  • 2, 10, 16, 40, 49, 106, 125, 201, 215, 282
  • 2, 10, 16, 50, 58, 83, 108, 185, 210, 254
  • 2, 10, 17, 30, 50, 75, 98, 136, 177, 228
  • 2, 11, 18, 39, 51, 81, 100, 148, 185, 237
  • 2, 13, 19, 30, 50, 79, 115, 133, 205, 230
  • 2, 14, 22, 38, 55, 109, 133, 199, 227, 287
  • 3, 12, 15, 33, 57, 104, 142, 212, 239, 270
  • 3, 13, 17, 43, 60, 90, 108, 175, 194, 262
  • 3, 13, 20, 37, 47, 97, 102, 171, 180, 278
  • 3, 14, 14, 40, 50, 100, 103, 166, 193, 265
  • 3, 14, 20, 36, 52, 90, 98, 148, 185, 259
  • 4, 4, 23, 38, 49, 71, 114, 131, 185, 234
  • 4, 6, 31, 37, 72, 82, 145, 172, 224, 259
  • 8, 12, 29, 43, 80, 94, 138, 185, 232, 267
  • 8, 13, 25, 37, 88, 110, 194, 206, 269, 292
  • 8, 14, 16, 50, 60, 136, 148, 256, 236, 304
  • 8, 18, 24, 40, 68, 101, 124, 170, 217, 284
  • 9, 16, 27, 38, 73, 92, 127, 171, 229, 266
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: As8 Cu18 O60 (As4 Cu9 O30)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 4, 23, 38, 49, 71, 114, 131, 185
  • 1, 7, 12, 29, 43, 80, 94, 138, 185, 232
  • 1, 8, 16, 27, 38, 73, 92, 127, 171, 229
  • 2, 10, 16, 26, 54, 91, 141, 199, 245, 269
  • 2, 10, 16, 40, 49, 106, 125, 201, 215, 282
  • 2, 10, 16, 50, 58, 83, 108, 185, 210, 254
  • 2, 10, 17, 30, 50, 75, 98, 136, 177, 228
  • 2, 11, 18, 39, 51, 81, 100, 148, 185, 237
  • 2, 13, 19, 30, 50, 79, 115, 133, 205, 230
  • 2, 14, 22, 38, 55, 109, 133, 199, 227, 287
  • 3, 12, 15, 33, 57, 104, 142, 212, 239, 270
  • 3, 13, 17, 43, 60, 90, 108, 175, 194, 262
  • 3, 13, 20, 37, 47, 97, 102, 171, 180, 278
  • 3, 14, 14, 40, 50, 100, 103, 166, 193, 265
  • 3, 14, 20, 36, 52, 90, 98, 148, 185, 259
  • 4, 4, 23, 38, 49, 71, 114, 131, 185, 234
  • 4, 6, 31, 37, 72, 82, 145, 172, 224, 259
  • 8, 12, 29, 43, 80, 94, 138, 185, 232, 267
  • 8, 13, 25, 37, 88, 110, 194, 206, 269, 292
  • 8, 14, 16, 50, 60, 136, 148, 256, 236, 304
  • 8, 18, 24, 40, 68, 101, 124, 170, 217, 284
  • 9, 16, 27, 38, 73, 92, 127, 171, 229, 266
span 1 {1 1 1}