Structure 1531014

1531013 << 1531014 >> 1531015
Original COD entry Download CIF Download DOT

Citation: Young, V.G.jr.; McKelvy, M.J.; von Dreele, R.B.; Glaunsinger, W.S. (1988). A structural investigation of deuterated ammonium titanium sulfide ((N D4)+)0.22 (N D3)0.34 Ti S2- by time-of-flight neutron powder diffraction. Solid State Ionics, 26, pp. 47-54.

Formula: D1.9 N0.56 S2 Ti

Chemical name: (N D4)0.22 (N D3)0.34 Ti S2

Cell parameters:

  • a = 3.4022 Å
  • b = 3.4022 Å
  • c = 26.433 Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 6

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

Dimensionality: 2

Formula: D55 N2 (D55 N2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

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

Dimensionality: 2

Formula: D55 N2 (D55 N2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

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

Dimensionality: 2

Formula: D55 N2 (D55 N2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

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

Dimensionality: 2

Formula: S2 Ti (S2 Ti)

Multiplicity: 1

RCSR Symbol: kgd

Coordination sequences:

  • 3, 12, 9, 24, 15, 36, 21, 48, 27, 60
  • 6, 6, 18, 12, 30, 18, 42, 24, 54, 30
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: S2 Ti (S2 Ti)

Multiplicity: 1

RCSR Symbol: kgd

Coordination sequences:

  • 3, 12, 9, 24, 15, 36, 21, 48, 27, 60
  • 6, 6, 18, 12, 30, 18, 42, 24, 54, 30
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: S2 Ti (S2 Ti)

Multiplicity: 1

RCSR Symbol: kgd

Coordination sequences:

  • 3, 12, 9, 24, 15, 36, 21, 48, 27, 60
  • 6, 6, 18, 12, 30, 18, 42, 24, 54, 30
span 1 {1 1 1}