Structure 7104206

7104199 << 7104206 >> 7104207
Original COD entry Download CIF Download DOT

Citation: Yashima, Masatomo; Komatsu, Takafumi (2009). Order-disorder and displacive components in the ferroelectric-paraelectric phase transition of potassium titanyl phosphate KTiOPO4.. Chemical communications (Cambridge, England), 34, pp. 1070-1072.

Formula:

Cell parameters:

  • a = 12.98220(78) Å
  • b = 10.54179(54) Å
  • c = 6.51038(39) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: O40 P8 Ti8 (O5 P Ti)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 7, 24, 19, 63, 42, 132, 74, 212
  • 2, 8, 7, 24, 19, 64, 44, 135, 77, 224
  • 2, 8, 7, 24, 19, 64, 44, 136, 76, 222
  • 2, 8, 7, 24, 19, 64, 45, 136, 74, 222
  • 2, 10, 8, 22, 18, 71, 47, 129, 75, 233
  • 4, 4, 18, 14, 40, 29, 110, 67, 176, 100
  • 4, 4, 18, 14, 40, 30, 112, 66, 176, 102
  • 6, 6, 18, 14, 54, 38, 110, 66, 202, 110
  • 6, 6, 18, 14, 54, 39, 112, 63, 198, 110
span 1 {1 1 1}