Structure 1531171

1531169 << 1531171 >> 1531175
Original COD entry Download CIF Download DOT

Citation: Chizmeshya, A.V.G.; McKelvy, M.J.; Carpenter, R.W.; Sharma, R.; 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: H4 Mg3 O5

Chemical name: Mg3 O (O H)4

Cell parameters:

  • a = 3.112 Å
  • b = 3.112 Å
  • c = 12.768 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: H Mg O (H Mg O)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 6, 15, 12, 27, 18, 39, 24, 51
  • 3, 9, 9, 21, 15, 33, 21, 45, 27, 57
  • 4, 6, 15, 12, 27, 18, 39, 24, 51, 30
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: H Mg O (H Mg O)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 6, 15, 12, 27, 18, 39, 24, 51
  • 3, 9, 9, 21, 15, 33, 21, 45, 27, 57
  • 4, 6, 15, 12, 27, 18, 39, 24, 51, 30
span 1 {1 1 1}