Structure 8101137

8101125 << 8101137 >> 8101138
Original COD entry Download CIF Download DOT

Citation: Gardberg, Anna S.; Ibers, James A. (2001). Crystal structure of hexapraseodymium dititanium septasulfide hexaoxide, Pr~6~Ti~2~S~7~O~6~. Zeitschrift f\"ur Kristallographie - New Crystal Structures, 216, pp. 491-492.

Formula: O6 Pr6 S7 Ti2

Cell parameters:

  • a = 11.9441(17) Å
  • b = 3.9746(6) Å
  • c = 16.327(2) Å
  • α = 90.00°
  • β = 97.951(3)°
  • γ = 90.00°

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: O12 Pr12 S14 Ti4 (O6 Pr6 S7 Ti2)

Multiplicity: 1

Coordination sequences:

  • 3, 20, 49, 113, 198, 308, 414, 611, 718, 1007
  • 4, 24, 54, 139, 213, 291, 468, 607, 774, 1018
  • 4, 26, 57, 135, 208, 335, 448, 615, 751, 1047
  • 4, 27, 65, 142, 218, 324, 509, 619, 797, 1055
  • 4, 28, 60, 135, 220, 360, 488, 632, 803, 1040
  • 4, 30, 63, 123, 197, 346, 476, 582, 815, 983
  • 4, 31, 62, 125, 217, 308, 474, 603, 789, 1008
  • 4, 31, 67, 128, 228, 315, 431, 612, 814, 995
  • 5, 36, 86, 148, 243, 331, 551, 675, 814, 1045
  • 5, 41, 88, 170, 261, 365, 538, 726, 841, 1131
  • 5, 43, 82, 143, 245, 376, 504, 694, 822, 1124
  • 6, 36, 78, 163, 256, 366, 475, 709, 860, 1121
  • 6, 42, 85, 176, 261, 360, 550, 713, 874, 1135
  • 9, 28, 83, 156, 255, 354, 539, 646, 881, 1095
  • 10, 24, 70, 122, 228, 322, 448, 578, 838, 1007
  • 10, 31, 88, 158, 228, 370, 476, 688, 837, 1041
  • 10, 34, 88, 173, 250, 367, 519, 699, 875, 1085
  • 12, 33, 103, 176, 247, 379, 537, 696, 929, 1036
  • 13, 39, 93, 152, 274, 405, 520, 687, 905, 1084
  • 14, 45, 84, 161, 248, 420, 524, 682, 879, 1100
  • 16, 43, 89, 156, 251, 382, 533, 660, 902, 1087
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