Structure 1566329

1566327 << 1566329 >> 1566342
Original COD entry Download CIF Download DOT

Citation: Mark A. Cooper; Frank C. Hawthorne; Vladimir Y. Karpenko; Leonid A. Pautov; Atali A. Agakhanov (2014). Metahewettite, Ca(V5+6O16)(H2O)3, from Hodzha-Rushnai-Mazar, southern Kirgizia: occurrence and crystal structure. Journal of GeoSciences, 59, pp. 159-168.

Formula: Ca H6 O19 V6

Cell parameters:

  • a = 12.208(5) Å
  • b = 3.6011(15) Å
  • c = 18.358(7) Å
  • α = 90.00°
  • β = 118.538(8)°
  • γ = 90.00°

List type: interleaving

List: 1-2D

Combined 3D structure and graph

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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: O16 V6 (O8 V3)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 5, 17, 11, 37, 19, 55, 23, 65
  • 1, 5, 6, 22, 12, 34, 16, 50, 24, 67
  • 1, 5, 7, 22, 11, 35, 17, 46, 21, 66
  • 2, 9, 9, 28, 14, 41, 19, 55, 26, 78
  • 2, 9, 9, 28, 14, 43, 21, 62, 26, 70
  • 3, 10, 7, 26, 16, 49, 21, 58, 25, 73
  • 3, 13, 9, 29, 14, 40, 19, 57, 27, 79
  • 4, 15, 9, 28, 14, 41, 19, 55, 26, 78
  • 5, 5, 17, 11, 37, 19, 55, 23, 65, 28
  • 6, 6, 22, 12, 34, 16, 50, 24, 67, 28
  • 6, 7, 22, 11, 35, 17, 46, 21, 66, 32
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: O16 V6 (O8 V3)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 5, 17, 11, 37, 19, 55, 23, 65
  • 1, 5, 6, 22, 12, 34, 16, 50, 24, 67
  • 1, 5, 7, 22, 11, 35, 17, 46, 21, 66
  • 2, 9, 9, 28, 14, 41, 19, 55, 26, 78
  • 2, 9, 9, 28, 14, 43, 21, 62, 26, 70
  • 3, 10, 7, 26, 16, 49, 21, 58, 25, 73
  • 3, 13, 9, 29, 14, 40, 19, 57, 27, 79
  • 4, 15, 9, 28, 14, 41, 19, 55, 26, 78
  • 5, 5, 17, 11, 37, 19, 55, 23, 65, 28
  • 6, 6, 22, 12, 34, 16, 50, 24, 67, 28
  • 6, 7, 22, 11, 35, 17, 46, 21, 66, 32
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: Ca2 O4 (Ca O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: Ca2 O4 (Ca O2)

Multiplicity: 1

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