Structure 2109101

2109100 << 2109101 >> 2200009
Original COD entry Download CIF Download DOT

Citation: Chukanov, Nikita V.; Kazheva, Olga N.; Fischer, Reinhard X.; Aksenov, Sergey M. (2023). Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Löhley (Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with pentacoordinated TiIV and a titanyl bond.. Acta crystallographica Section B, Structural science, crystal engineering and materials, 79, pp. 184-194.

Formula: Ba2 O8 Si2 Ti

Cell parameters:

  • a = 8.5104(12) Å
  • b = 8.5104(12) Å
  • c = 5.1975(10) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

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 1

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

Dimensionality: 2

Formula: O16 Si4 Ti2 (O8 Si2 Ti)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 11, 8, 23, 12, 35, 15, 44
  • 1, 4, 4, 12, 8, 24, 12, 36, 16, 44
  • 2, 6, 4, 16, 10, 26, 14, 42, 18, 50
  • 2, 7, 5, 16, 9, 26, 14, 40, 17, 49
  • 4, 3, 11, 8, 23, 12, 35, 15, 44, 20
  • 5, 4, 12, 8, 24, 12, 36, 16, 44, 20
span 1 {1 1 1}