Structure 7707675

7707668 << 7707675 >> 7707676
Original COD entry Download CIF Download DOT

Citation: Haffner, Arthur; Zeman, Otto E. O.; Br\"auniger, Thomas; Johrendt, Dirk (2021). Supertetrahedral anions in the phosphidosilicates Na1.25Ba0.875Si3P5 and Na31Ba5Si52P83.. Dalton transactions (Cambridge, England : 2003), 50, pp. 9123-9128.

Formula: Ba0.88 Na1.25 P5 Si3

Cell parameters:

  • a = 7.1678(2) Å
  • b = 34.0730(8) Å
  • c = 11.0890(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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;0;1)

Dimensionality: 2

Formula: P15 Si9 (P5 Si3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 12, 11, 23, 23, 42, 27, 51
  • 2, 6, 6, 12, 16, 32, 22, 40, 22, 40
  • 2, 6, 7, 15, 12, 22, 19, 37, 23, 42
  • 2, 6, 8, 15, 12, 20, 13, 28, 23, 44
  • 3, 9, 8, 14, 11, 22, 17, 34, 31, 56
  • 3, 9, 8, 15, 12, 22, 14, 29, 27, 50
  • 3, 9, 10, 18, 10, 20, 18, 35, 29, 52
  • 4, 4, 9, 11, 22, 19, 37, 22, 39, 31
  • 4, 6, 12, 9, 16, 14, 26, 16, 36, 36
  • 4, 6, 12, 9, 20, 18, 32, 26, 52, 30
  • 4, 6, 12, 12, 20, 10, 24, 24, 42, 36
  • 4, 7, 15, 10, 19, 14, 28, 24, 45, 32
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: P15 Si9 (P5 Si3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 12, 11, 23, 23, 42, 27, 51
  • 2, 6, 6, 12, 16, 32, 22, 40, 22, 40
  • 2, 6, 7, 15, 12, 22, 19, 37, 23, 42
  • 2, 6, 8, 15, 12, 20, 13, 28, 23, 44
  • 3, 9, 8, 14, 11, 22, 17, 34, 31, 56
  • 3, 9, 8, 15, 12, 22, 14, 29, 27, 50
  • 3, 9, 10, 18, 10, 20, 18, 35, 29, 52
  • 4, 4, 9, 11, 22, 19, 37, 22, 39, 31
  • 4, 6, 12, 9, 16, 14, 26, 16, 36, 36
  • 4, 6, 12, 9, 20, 18, 32, 26, 52, 30
  • 4, 6, 12, 12, 20, 10, 24, 24, 42, 36
  • 4, 7, 15, 10, 19, 14, 28, 24, 45, 32
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: P15 Si9 (P5 Si3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 12, 11, 23, 23, 42, 27, 51
  • 2, 6, 6, 12, 16, 32, 22, 40, 22, 40
  • 2, 6, 7, 15, 12, 22, 19, 37, 23, 42
  • 2, 6, 8, 15, 12, 20, 13, 28, 23, 44
  • 3, 9, 8, 14, 11, 22, 17, 34, 31, 56
  • 3, 9, 8, 15, 12, 22, 14, 29, 27, 50
  • 3, 9, 10, 18, 10, 20, 18, 35, 29, 52
  • 4, 4, 9, 11, 22, 19, 37, 22, 39, 31
  • 4, 6, 12, 9, 16, 14, 26, 16, 36, 36
  • 4, 6, 12, 9, 20, 18, 32, 26, 52, 30
  • 4, 6, 12, 12, 20, 10, 24, 24, 42, 36
  • 4, 7, 15, 10, 19, 14, 28, 24, 45, 32
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: P15 Si9 (P5 Si3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 12, 11, 23, 23, 42, 27, 51
  • 2, 6, 6, 12, 16, 32, 22, 40, 22, 40
  • 2, 6, 7, 15, 12, 22, 19, 37, 23, 42
  • 2, 6, 8, 15, 12, 20, 13, 28, 23, 44
  • 3, 9, 8, 14, 11, 22, 17, 34, 31, 56
  • 3, 9, 8, 15, 12, 22, 14, 29, 27, 50
  • 3, 9, 10, 18, 10, 20, 18, 35, 29, 52
  • 4, 4, 9, 11, 22, 19, 37, 22, 39, 31
  • 4, 6, 12, 9, 16, 14, 26, 16, 36, 36
  • 4, 6, 12, 9, 20, 18, 32, 26, 52, 30
  • 4, 6, 12, 12, 20, 10, 24, 24, 42, 36
  • 4, 7, 15, 10, 19, 14, 28, 24, 45, 32
span 1 {1 1 1}