Structure 2101228

2101216 << 2101228 >> 2101232
Original COD entry Download CIF Download DOT

Citation: Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. (1994). Structure and non-linear optical properties of KTiOAsO~4~. Acta Crystallographica Section B, 50, pp. 655-662.

Formula: As K O5 Ti

Cell parameters:

  • a = 13.130(2) Å
  • b = 6.5810(10) Å
  • c = 10.7810(10) Å
  • α = 90.°
  • β = 90.°
  • γ = 90.°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: As8 O40 Ti8 (As O5 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
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