Structure 9000810

9000809 << 9000810 >> 9000813
Original COD entry Download CIF Download DOT

Citation: Evans, H. T.; Clark, J. R. (1981). The crystal structure of bartonite, a potassium iron sulfide, and its relationship to pentlandite and djerfisherite. American Mineralogist, 66, pp. 376-384.

Formula: Fe6.789 K1.893 S8.975

Cell parameters:

  • a = 10.424 Å
  • b = 10.424 Å
  • c = 20.626 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: Fe48 S52 (Fe12 S13)

Multiplicity: 1

Coordination sequences:

  • 3, 18, 24, 21, 63, 99, 85, 123, 222, 249
  • 4, 12, 13, 40, 60, 56, 124, 176, 148, 180
  • 4, 12, 13, 42, 60, 54, 117, 180, 169, 192
  • 4, 12, 13, 44, 60, 52, 117, 182, 169, 192
  • 4, 12, 13, 44, 60, 52, 121, 178, 149, 184
  • 7, 11, 20, 42, 54, 72, 120, 154, 165, 213
  • 7, 11, 20, 42, 54, 72, 121, 161, 177, 215
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