Structure 1531175

1531171 << 1531175 >> 1531178
Original COD entry Download CIF Download DOT

Citation: Chizmeshya, A.V.G.; McKelvy, M.J.; Sharma, R.; Carpenter, R.W.; Bearat, H. (2002). Density functional theory study of the decomposition of Mg (O H)2: a lamellar dehydroxylation model. Materials Chemistry and Physics, 77, pp. 416-425.

Formula: H8 Mg5 O9

Chemical name: Mg5 O (O H)8

Cell parameters:

  • a = 3.143 Å
  • b = 3.143 Å
  • c = 22.772 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

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

Dimensionality: 2

Formula: H2 Mg O2 (H2 Mg O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 12, 21, 24, 39, 36, 57, 48, 75
  • 4, 12, 21, 24, 39, 36, 57, 48, 75, 60
  • 6, 12, 18, 30, 30, 48, 42, 66, 54, 84
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: H2 Mg O2 (H2 Mg O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 12, 21, 24, 39, 36, 57, 48, 75
  • 4, 12, 21, 24, 39, 36, 57, 48, 75, 60
  • 6, 12, 18, 30, 30, 48, 42, 66, 54, 84
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: H2 Mg O2 (H2 Mg O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 12, 21, 24, 39, 36, 57, 48, 75
  • 4, 12, 21, 24, 39, 36, 57, 48, 75, 60
  • 6, 12, 18, 30, 30, 48, 42, 66, 54, 84
span 1 {1 1 1}