Structure 9013945

9013944 << 9013945 >> 9013946
Original COD entry Download CIF Download DOT

Citation: Bindi, L.; Welch, M. D.; Bonazzi, P.; Pratesi, G.; Menchetti, S. (2008). The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from the San Rafael mine, Sierra Gorda, Chile Locality: San Rafael mine, Sierra Gorda, Chile. Mineralogical Magazine, 71, pp. 771-783.

Formula: Cl3 I O4 Pb3

Cell parameters:

  • a = 7.971 Å
  • b = 7.976 Å
  • c = 27.341 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Cl4 I2 O8 Pb4 (Cl2 I O4 Pb2)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 10, 21, 24, 33, 38, 49, 56, 73
  • 2, 8, 14, 28, 38, 44, 58, 60, 78, 76
  • 4, 4, 16, 20, 28, 32, 40, 52, 68, 68
  • 5, 8, 16, 20, 28, 36, 48, 52, 68, 68
  • 5, 8, 20, 28, 36, 48, 52, 68, 68, 88
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: O8 Pb8 (O Pb)

Multiplicity: 1

RCSR Symbol: sql

Coordination sequences:

  • 4, 8, 12, 16, 20, 24, 28, 32, 36, 40
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: I2 O8 Pb4 (I O4 Pb2)

Multiplicity: 1

RCSR Symbol: mtf

Coordination sequences:

  • 3, 7, 8, 15, 15, 24, 21, 32, 27, 40
  • 4, 4, 8, 12, 20, 16, 28, 28, 36, 24
  • 4, 6, 12, 12, 20, 18, 28, 24, 36, 30
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: I4 O8 (I O2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 10, 24, 14, 32, 18, 40
  • 4, 4, 12, 8, 20, 12, 28, 16, 36, 20
span 1 {1 1 1}