Structure 9015059

9015058 << 9015059 >> 9015060
Original COD entry Download CIF Download DOT

Citation: Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C. (2010). The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined. American Mineralogist, 95, pp. 1312-1322.

Formula: Fe O2

Cell parameters:

  • a = 10.821 Å
  • b = 6.002 Å
  • c = 10.514 Å
  • α = 90.0°
  • β = 92.6°
  • γ = 90.0°

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: Fe16 O32 (Fe O2)

Multiplicity: 1

Coordination sequences:

  • 2, 11, 16, 31, 40, 81, 89, 151, 152, 253
  • 3, 14, 21, 46, 55, 92, 106, 183, 184, 300
  • 3, 15, 22, 49, 56, 93, 106, 182, 185, 306
  • 3, 16, 23, 42, 56, 114, 121, 187, 194, 303
  • 3, 16, 23, 47, 57, 90, 106, 182, 184, 297
  • 3, 16, 24, 50, 58, 90, 106, 183, 185, 298
  • 3, 16, 26, 57, 67, 108, 123, 218, 213, 334
  • 3, 16, 26, 58, 67, 106, 122, 215, 211, 331
  • 3, 16, 26, 60, 69, 108, 124, 206, 209, 330
  • 3, 16, 26, 60, 69, 108, 125, 211, 211, 333
  • 3, 18, 26, 46, 60, 116, 124, 195, 199, 309
  • 3, 18, 28, 50, 59, 100, 111, 195, 199, 313
  • 3, 18, 28, 51, 56, 90, 106, 187, 192, 308
  • 3, 18, 28, 53, 62, 104, 115, 191, 199, 317
  • 3, 18, 28, 53, 65, 112, 120, 191, 202, 342
  • 3, 18, 28, 53, 65, 120, 133, 223, 220, 314
  • 7, 12, 25, 34, 69, 80, 143, 145, 223, 228
  • 8, 14, 26, 36, 70, 82, 136, 143, 232, 230
  • 8, 16, 34, 42, 70, 80, 136, 148, 256, 246
  • 8, 16, 34, 45, 86, 98, 168, 175, 280, 264
  • 8, 16, 36, 44, 68, 80, 140, 150, 242, 242
  • 8, 16, 36, 47, 78, 90, 158, 162, 264, 264
  • 8, 16, 36, 47, 84, 94, 148, 160, 268, 264
  • 8, 16, 36, 47, 84, 98, 172, 177, 266, 260
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