Structure 1531164

1531163 << 1531164 >> 1531165
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: H2 Mg3 O4

Chemical name: Mg3 O2 (O H)2

Cell parameters:

  • a = 3.053 Å
  • b = 3.053 Å
  • c = 20.125 Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: 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 1, entity 2 of 4

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 4

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 3, entity 4 of 4

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}