Structure 1541804

1541803 << 1541804 >> 1541805
Original COD entry Download CIF Download DOT

Citation: Anokhina, E.V.; Day, C.S.; Kauzlarich, S.M.; Stroebele, M.; Meyer, H.J.; Lachgar, A.; Whangbo Myunghwan; Kim, H. (2002). Preparation ,structure and properties of a series of anisotropic oxychloride cluster compounds Ax Nb6 Cl12 O2 (A = K, Rb, Cs or In). Journal of Alloys Compd., 338, pp. 218-228.

Formula: Cl12 K0.72 Nb6 O2

Chemical name: K0.72 (Nb6 O2 Cl12)

Cell parameters:

  • a = 6.7996 Å
  • b = 11.6246 Å
  • c = 12.3833 Å
  • α = 90°
  • β = 101.181°
  • γ = 90°

List type: interleaving

List: 1-3D

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 3

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

Dimensionality: 3

Formula: Cl24 Nb12 O4 (Cl6 Nb3 O)

Multiplicity: 1

Coordination sequences:

  • 2, 12, 12, 24, 59, 74, 101, 153, 174, 257
  • 2, 12, 12, 24, 59, 74, 103, 157, 163, 268
  • 2, 12, 12, 27, 67, 61, 111, 159, 164, 272
  • 2, 12, 12, 27, 67, 61, 113, 163, 156, 279
  • 2, 12, 13, 29, 60, 65, 115, 158, 148, 288
  • 2, 16, 27, 19, 80, 100, 107, 207, 198, 258
  • 3, 19, 23, 19, 87, 113, 79, 208, 208, 256
  • 9, 14, 15, 53, 66, 85, 152, 165, 217, 294
  • 9, 15, 17, 49, 80, 76, 149, 161, 230, 296
  • 9, 15, 20, 54, 59, 102, 152, 145, 248, 291
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (1;0;0)

Dimensionality: 1

Formula: K3 (K)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (1;0;0)

Dimensionality: 1

Formula: K3 (K)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}