Structure 9015340

9015338 << 9015340 >> 9015341
Original COD entry Download CIF Download DOT

Citation: Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. (2012). Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9. European Journal of Mineralogy, 24, pp. 839-850.

Formula: Cr H O2

Cell parameters:

  • a = 4.8623 Å
  • b = 4.2972 Å
  • c = 2.9567 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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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: Cr2 H2 O4 (Cr H O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 18, 39, 84, 133, 206, 253, 360, 473
  • 3, 18, 41, 86, 123, 200, 277, 370, 423, 572
  • 4, 18, 39, 84, 133, 206, 253, 360, 473, 586
  • 8, 21, 52, 85, 144, 197, 284, 357, 472, 565
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