Structure 4337667

4337666 << 4337667 >> 4337674
Original COD entry Download CIF Download DOT

Citation: Xiao, Bin; Gesing, Thorsten M.; Kegler, Philip; Modolo, Giuseppe; Bosbach, Dirk; Schlenz, Hartmut; Suleimanov, Evgeny V.; Alekseev, Evgeny V. (2014). High-temperature phase transitions, spectroscopic properties, and dimensionality reduction in rubidium thorium molybdate family.. Inorganic chemistry, 53, pp. 3088-3098.

Formula: Mo12 O48 Rb4 Th5

Chemical name: ?

Cell parameters:

  • a = 29.3907(4) Å
  • b = 16.8025(2) Å
  • c = 10.20160(10) Å
  • α = 90.00°
  • β = 101.5390(10)°
  • γ = 90.00°

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: Mo48 O192 Th20 (Mo12 O48 Th5)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 21, 17, 47, 17, 97, 67, 171
  • 1, 3, 3, 21, 17, 47, 19, 116, 79, 200
  • 1, 3, 3, 21, 18, 51, 19, 112, 78, 200
  • 1, 3, 3, 21, 19, 55, 19, 112, 77, 196
  • 2, 10, 9, 32, 18, 71, 40, 128, 58, 213
  • 2, 10, 9, 32, 18, 75, 42, 142, 68, 228
  • 2, 10, 9, 32, 18, 75, 44, 140, 56, 205
  • 2, 10, 9, 32, 18, 75, 46, 152, 66, 222
  • 2, 10, 9, 32, 19, 76, 41, 140, 68, 228
  • 2, 10, 9, 33, 18, 70, 40, 129, 58, 215
  • 2, 10, 9, 33, 18, 78, 51, 165, 68, 242
  • 2, 10, 9, 33, 19, 76, 45, 150, 66, 223
  • 2, 10, 9, 33, 20, 83, 49, 159, 68, 243
  • 2, 10, 9, 34, 19, 79, 50, 165, 68, 240
  • 2, 10, 9, 34, 20, 79, 44, 145, 66, 226
  • 2, 10, 9, 34, 20, 83, 49, 158, 68, 242
  • 2, 10, 10, 36, 20, 76, 43, 145, 61, 212
  • 2, 10, 10, 36, 21, 79, 43, 151, 64, 215
  • 2, 10, 10, 37, 20, 75, 43, 146, 61, 210
  • 2, 10, 10, 38, 20, 73, 39, 133, 63, 217
  • 2, 10, 10, 38, 21, 76, 39, 134, 66, 224
  • 2, 10, 10, 38, 21, 78, 43, 143, 64, 221
  • 2, 10, 10, 39, 20, 73, 39, 132, 63, 217
  • 2, 10, 10, 40, 21, 74, 39, 134, 66, 227
  • 4, 3, 21, 17, 47, 17, 97, 67, 171, 46
  • 4, 3, 21, 17, 47, 19, 116, 79, 200, 52
  • 4, 3, 21, 18, 51, 19, 112, 78, 200, 52
  • 4, 3, 21, 19, 55, 19, 112, 77, 196, 54
  • 4, 4, 28, 20, 52, 18, 105, 71, 179, 48
  • 4, 4, 28, 21, 56, 19, 109, 74, 187, 51
  • 8, 8, 24, 10, 60, 41, 104, 31, 173, 118
  • 8, 8, 24, 10, 60, 45, 120, 33, 177, 119
  • 8, 8, 24, 10, 64, 50, 136, 40, 208, 132
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Rb4 (Rb)

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: Rb4 (Rb)

Multiplicity: 1

Coordination sequences:

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