Structure 1544908

1544907 << 1544908 >> 1544909
Original COD entry Download CIF Download DOT

Citation: Kihara, K.; Hirata, H.; Ida, A.; Okudera, H.; Morishita, T. (2007). An X-ray single crystal study of asymmetric thermal vibrations and the positional disorder of atoms in elbaite Refinement type: harmonic. Journal of Mineralogical and Petrological Sciences, 102, pp. 115-126.

Formula: Al7.2 B3 Ca0.09 F0.72 H3 K0.06 Na0.64 O30 Si6

Cell parameters:

  • a = 15.874(3) Å
  • b = 15.874(3) Å
  • c = 7.116(3) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: Al27 B9 H9 Li9 O93 Si18 (Al9 B3 H3 Li3 O31 Si6)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 20, 46, 102, 171, 280, 418, 547, 737
  • 1, 10, 30, 63, 121, 216, 328, 447, 636, 798
  • 2, 6, 9, 43, 84, 160, 251, 393, 534, 703
  • 2, 6, 10, 45, 87, 161, 273, 404, 547, 717
  • 3, 6, 32, 67, 137, 222, 341, 489, 643, 810
  • 3, 15, 36, 85, 157, 263, 386, 523, 672, 890
  • 3, 16, 37, 86, 152, 261, 381, 519, 669, 886
  • 3, 18, 36, 76, 148, 252, 359, 508, 693, 847
  • 3, 18, 38, 83, 150, 258, 380, 505, 701, 856
  • 3, 21, 48, 87, 168, 276, 371, 552, 723, 872
  • 4, 6, 29, 62, 127, 214, 341, 475, 621, 819
  • 4, 20, 46, 102, 171, 280, 418, 547, 737, 903
  • 9, 26, 62, 120, 210, 337, 448, 599, 783, 994
  • 11, 30, 63, 121, 216, 328, 447, 636, 798, 959
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