Structure 2021332

2021331 << 2021332 >> 2021333
Original COD entry Download CIF Download DOT

Citation: Ahmadzadeh, Mostafa; Olds, Travis A.; Scrimshire, Alex; Bingham, Paul A.; McCloy, John S. (2018). Structure and properties of Na~5~FeSi~4~O~12~ crystallized from 5Na~2~O--Fe~2~O~3~--8SiO~2~ glass. Acta Crystallographica Section C, 74, pp. -.

Formula: Fe Na4.96 O12 Si4

Chemical name: Pentasodium iron(III) silicate

Cell parameters:

  • a = 21.418(3) Å
  • b = 21.418(3) Å
  • c = 12.2911(18) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 1-3D

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 10

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

Dimensionality: 3

Formula: Fe18 O216 Si72 (Fe O12 Si4)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 10, 9, 30, 21, 57, 37, 109
  • 2, 6, 4, 15, 13, 39, 26, 70, 42, 125
  • 2, 6, 5, 19, 15, 41, 26, 77, 51, 141
  • 2, 8, 6, 16, 12, 39, 27, 78, 51, 133
  • 2, 8, 7, 20, 13, 38, 28, 85, 52, 133
  • 2, 8, 8, 22, 13, 39, 27, 84, 51, 129
  • 4, 3, 10, 9, 30, 21, 57, 37, 109, 64
  • 4, 4, 15, 11, 30, 21, 63, 41, 115, 64
  • 6, 6, 16, 10, 30, 22, 70, 48, 120, 58
span 1 {1 1 1}

CIF datablock 1, entity 2 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 2, entity 3 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 3, entity 4 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 4, entity 5 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 5, entity 6 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 6, entity 7 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 7, entity 8 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 8, entity 9 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}

CIF datablock 9, entity 10 of 10

Basis: (0;0;1)

Dimensionality: 1

Formula: Na14 (Na)

Multiplicity: 1

Coordination sequences:

  • 3, 4, 4, 4, 3, 4, 3, 4, 3, 4
  • 4, 3, 4, 4, 4, 2, 4, 4, 4, 2
  • 4, 4, 3, 4, 3, 4, 3, 4, 3, 4
  • 4, 4, 4, 2, 4, 4, 4, 2, 4, 4
span 1 {1 1 1}