Structure 1570723

1570711 << 1570723 >> 1570733
Original COD entry Download CIF Download DOT

Citation: Simura, R.; Yatsu, Y.; Sakai, N.; Yamane, H.; Ogino, H. (2024). Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11. Journal of the Ceramic Society of Japan, 132, pp. 34-37.

Formula: As2 Ca5 Fe2.38 O11 Sc1.62 Ti2.4

Cell parameters:

  • a = 3.8964(1) Å
  • b = 3.8964(1) Å
  • c = 41.2890(12) Å
  • α = 90.000000°
  • β = 90.000000°
  • γ = 90.000000°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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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: O32 Sc4 Ti4 (O8 Sc Ti)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: O32 Sc4 Ti4 (O8 Sc Ti)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: As2 Fe2 (As Fe)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: As2 Fe2 (As Fe)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
span 1 {1 1 1}