Structure 4327329

4327328 << 4327329 >> 4327330
Original COD entry Download CIF Download DOT

Citation: Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis (2005). On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion. Inorganic Chemistry, 44, pp. 5293-5303.

Formula: Bi Cu P2 Se6

Chemical name: ?

Cell parameters:

  • a = 6.5591(10) Å
  • b = 6.5591(10) Å
  • c = 79.385(18) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 13, 24, 20, 36, 28, 48, 36, 60
  • 4, 9, 18, 18, 30, 24, 42, 30, 54, 42
  • 6, 9, 18, 15, 30, 24, 42, 33, 54, 39
span 1 {1 1 1}

CIF datablock 1, entity 2 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 13, 24, 20, 36, 28, 48, 36, 60
  • 4, 9, 18, 18, 30, 24, 42, 30, 54, 42
  • 6, 9, 18, 15, 30, 24, 42, 33, 54, 39
span 1 {1 1 1}

CIF datablock 2, entity 3 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 13, 24, 20, 36, 28, 48, 36, 60
  • 4, 9, 18, 18, 30, 24, 42, 30, 54, 42
  • 6, 9, 18, 15, 30, 24, 42, 33, 54, 39
span 1 {1 1 1}

CIF datablock 3, entity 4 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 13, 24, 20, 36, 28, 48, 36, 60
  • 4, 9, 18, 18, 30, 24, 42, 30, 54, 42
  • 6, 9, 18, 15, 30, 24, 42, 33, 54, 39
span 1 {1 1 1}

CIF datablock 4, entity 5 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 13, 24, 20, 36, 28, 48, 36, 60
  • 4, 9, 18, 18, 30, 24, 42, 30, 54, 42
  • 6, 9, 18, 15, 30, 24, 42, 33, 54, 39
span 1 {1 1 1}

CIF datablock 5, entity 6 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 13, 24, 20, 36, 28, 48, 36, 60
  • 4, 9, 18, 18, 30, 24, 42, 30, 54, 42
  • 6, 9, 18, 15, 30, 24, 42, 33, 54, 39
span 1 {1 1 1}

CIF datablock 6, entity 7 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 19, 18, 32, 26, 46, 38, 55
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 13, 23, 20, 35, 28, 47, 36, 59
  • 4, 6, 15, 18, 27, 21, 39, 39, 51, 42
  • 4, 9, 15, 18, 30, 21, 42, 33, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}

CIF datablock 7, entity 8 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 19, 18, 32, 26, 46, 38, 55
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 13, 23, 20, 35, 28, 47, 36, 59
  • 4, 6, 15, 18, 27, 21, 39, 39, 51, 42
  • 4, 9, 15, 18, 30, 21, 42, 33, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}

CIF datablock 8, entity 9 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 19, 18, 32, 26, 46, 38, 55
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 13, 23, 20, 35, 28, 47, 36, 59
  • 4, 6, 15, 18, 27, 21, 39, 39, 51, 42
  • 4, 9, 15, 18, 30, 21, 42, 33, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}

CIF datablock 9, entity 10 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 19, 18, 32, 26, 46, 38, 55
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 13, 23, 20, 35, 28, 47, 36, 59
  • 4, 6, 15, 18, 27, 21, 39, 39, 51, 42
  • 4, 9, 15, 18, 30, 21, 42, 33, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}

CIF datablock 10, entity 11 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 19, 18, 32, 26, 46, 38, 55
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 13, 23, 20, 35, 28, 47, 36, 59
  • 4, 6, 15, 18, 27, 21, 39, 39, 51, 42
  • 4, 9, 15, 18, 30, 21, 42, 33, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}

CIF datablock 11, entity 12 of 12

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

Dimensionality: 2

Formula: Bi Cu P2 Se6 (Bi Cu P2 Se6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 19, 18, 32, 26, 46, 38, 55
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 13, 23, 20, 35, 28, 47, 36, 59
  • 4, 6, 15, 18, 27, 21, 39, 39, 51, 42
  • 4, 9, 15, 18, 30, 21, 42, 33, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}