Structure 2106960

2106959 << 2106960 >> 2106961
Original COD entry Download CIF Download DOT

Citation: Gatehouse, B.M.; Grey, I.E.; Rossell, H.J.; Hill, R.J. (1981). Zirconolite, Ca Zrx Ti3-x O7; structure refinements for near-end-member compositions with x=0.85 and 1.30. Acta Crystallographica B (24,1968-38,1982), 37, pp. 306-312.

Formula: Ca0.986 O7 Ti1.693 Zr1.271

Chemical name: Ca0.986 Zr1.271 Ti1.693 O7

Cell parameters:

  • a = 12.445 Å
  • b = 7.288 Å
  • c = 11.487 Å
  • α = 90°
  • β = 100.39°
  • γ = 90°

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: Ca8 O56 Ti28 Zr36 (Ca2 O14 Ti7 Zr9)

Multiplicity: 1

Coordination sequences:

  • 1, 14, 42, 107, 188, 303, 451, 615, 780, 1061
  • 6, 23, 57, 148, 233, 362, 522, 709, 896, 1194
  • 6, 39, 77, 186, 272, 392, 604, 760, 955, 1260
  • 7, 33, 84, 157, 271, 412, 567, 792, 966, 1248
  • 7, 34, 80, 165, 272, 414, 571, 756, 958, 1235
  • 7, 35, 77, 164, 267, 390, 559, 775, 951, 1245
  • 8, 40, 85, 162, 281, 444, 574, 765, 1018, 1221
  • 9, 33, 84, 147, 280, 387, 563, 740, 968, 1174
  • 10, 29, 92, 163, 257, 419, 559, 761, 998, 1209
  • 10, 37, 96, 171, 286, 412, 598, 797, 1015, 1262
  • 12, 35, 96, 171, 286, 412, 598, 797, 1015, 1262
  • 12, 37, 94, 182, 275, 443, 590, 780, 1029, 1257
  • 13, 32, 90, 166, 272, 406, 582, 758, 1018, 1248
  • 14, 43, 97, 176, 309, 434, 599, 812, 994, 1284
  • 15, 30, 90, 166, 272, 406, 582, 758, 1018, 1248
  • 15, 42, 107, 188, 303, 451, 615, 780, 1061, 1250
  • 15, 49, 101, 178, 323, 437, 602, 833, 990, 1291
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