Structure 7233626

7233619 << 7233626 >> 7233627
Original COD entry Download CIF Download DOT

Citation: Wiedemann, Dennis; Suard, Emmanuelle; Lerch, Martin (2019). Structural complexities and sodium-ion diffusion in the intercalates NaxTiS2: move it, change it, re-diffract it. RSC Advances, 9, pp. 27780-.

Formula: Na0.5 S2 Ti

Chemical name: sodium titanium disulfide, sodium deficient

Cell parameters:

  • a = 3.45878(5) Å
  • b = 3.45878(5) Å
  • c = 21.2010(5) 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: 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 1, entity 2 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 2, entity 3 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 3, entity 4 of 6

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

Dimensionality: 2

Formula: Na2 (Na)

Multiplicity: 1

RCSR Symbol: hcb

Coordination sequences:

  • 3, 6, 9, 12, 15, 18, 21, 24, 27, 30
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: Na2 (Na)

Multiplicity: 1

RCSR Symbol: hcb

Coordination sequences:

  • 3, 6, 9, 12, 15, 18, 21, 24, 27, 30
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: Na2 (Na)

Multiplicity: 1

RCSR Symbol: hcb

Coordination sequences:

  • 3, 6, 9, 12, 15, 18, 21, 24, 27, 30
span 1 {1 1 1}