Structure 9000944

9000943 << 9000944 >> 9000945
Original COD entry Download CIF Download DOT

Citation: Moore, P. B.; Shen, J. (1984). Roeblingite, Pb2Ca6(SO4)2(OH)2(H2O)4[Mn(Si3O9)2]: Its crystal structure and comments on the lone pair effect. American Mineralogist, 69, pp. 1173-1179.

Formula: Ca6 H12 Mn O32 Pb2 S2 Si6

Cell parameters:

  • a = 13.208 Å
  • b = 8.287 Å
  • c = 13.089 Å
  • α = 90°
  • β = 106.65°
  • γ = 90°

List type: noninterleaving

List: 2D

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)

Dimensionality: 2

Formula: Mn2 O40 Pb4 Si12 (Mn O20 Pb2 Si6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 3, 12, 11, 34, 25, 54
  • 1, 3, 3, 10, 8, 26, 22, 50, 23, 52
  • 2, 5, 3, 9, 7, 25, 21, 49, 24, 53
  • 2, 6, 4, 13, 11, 34, 25, 54, 19, 46
  • 2, 6, 4, 13, 11, 34, 27, 56, 17, 44
  • 2, 8, 7, 20, 17, 38, 13, 40, 32, 74
  • 2, 8, 8, 21, 15, 36, 14, 41, 32, 74
  • 3, 2, 5, 3, 12, 11, 34, 25, 54, 19
  • 4, 3, 10, 8, 26, 22, 50, 23, 52, 21
  • 4, 4, 11, 7, 25, 21, 49, 24, 53, 21
  • 6, 6, 18, 16, 34, 8, 26, 24, 66, 44
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