Structure 2311017

2311016 << 2311017 >> 2311019
Original COD entry Download CIF Download DOT

Citation: Wadsley, A.D. (1953). The crystal structure of psilomelane, (Ba, H2 O)2 Mn5 O10. Acta Crystallographica (1,1948-23,1967), 6, pp. 433-438.

Formula: Ba0.66 H2.68 Mn5 O11.34

Chemical name: Ba0.66 Mn5 O10 (H2 O)1.34

Cell parameters:

  • a = 9.56 Å
  • b = 2.88 Å
  • c = 13.85 Å
  • α = 90°
  • β = 92.5°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

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

Dimensionality: 3

Formula: Mn10 O20 (Mn O2)

Multiplicity: 1

Coordination sequences:

  • 3, 16, 26, 74, 113, 149, 176, 306, 372, 463
  • 3, 18, 29, 61, 97, 128, 237, 312, 351, 437
  • 3, 19, 29, 55, 100, 126, 225, 315, 349, 435
  • 3, 23, 42, 73, 124, 183, 239, 316, 418, 496
  • 3, 23, 43, 73, 117, 184, 243, 316, 421, 491
  • 10, 21, 47, 94, 131, 163, 247, 329, 417, 535
  • 10, 24, 50, 67, 120, 201, 252, 334, 394, 481
  • 12, 24, 34, 88, 106, 150, 312, 312, 390, 484
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba2 O2 (Ba O)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 8, 8, 8, 8, 8, 8, 8, 8
  • 5, 8, 8, 8, 8, 8, 8, 8, 8, 8
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CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba2 O2 (Ba O)

Multiplicity: 1

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