Structure 9002582

9002581 << 9002582 >> 9002583
Original COD entry Download CIF Download DOT

Citation: Chakhmouradian, A. R.; Mitchell, R. H. (2001). Crystal structure of novel high-pressure perovskite K2/3Th1/3TiO3, a possible host for Th in the upper mantle. American Mineralogist, 86, pp. 1076-1080.

Formula: K0.69 O3 Th0.31 Ti

Cell parameters:

  • a = 3.9007 Å
  • b = 3.9007 Å
  • c = 7.8099 Å
  • α = 90°
  • β = 90°
  • 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: K2 O6 Th2 Ti2 (K O3 Th Ti)

Multiplicity: 1

Coordination sequences:

  • 1, 18, 104, 260, 472, 772, 1144, 1588, 2088, 2676
  • 1, 26, 96, 252, 480, 780, 1136, 1580, 2096, 2684
  • 4, 49, 146, 366, 606, 958, 1334, 1838, 2366, 3006
  • 6, 54, 194, 384, 668, 992, 1436, 1904, 2476, 3088
  • 6, 70, 170, 400, 652, 1024, 1404, 1920, 2460, 3120
  • 14, 94, 252, 480, 772, 1144, 1580, 2096, 2676, 3336
  • 19, 104, 260, 472, 772, 1144, 1588, 2088, 2676, 3336
  • 27, 96, 252, 480, 780, 1136, 1580, 2096, 2684, 3328
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