Structure 4002452

4002451 << 4002452 >> 4002453
Original COD entry Download CIF Download DOT

Citation: Guogang Li; Chun Che Lin; Wei-Ting Chen; Maxim S. Molokeev; Victor V. Atuchin; Chang-Yang Chiang; Wuzong Zhou; Chin-Wei Wang; Wen-Hsien Li; Hwo-Shuenn Sheu; Ting-Shan Chan; ChongGeng Ma; Ru-Shi Liu (2014). Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms. Chemistry of Materials, 26, pp. 2991-.

Formula: Ba3 N8 O8 Si8 Sr

Cell parameters:

  • a = 4.79674(49) Å
  • b = 5.47004(50) Å
  • c = 14.2965(21) Å
  • α = 89.867(14)°
  • β = 89.885(16)°
  • γ = 90.000(12)°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: N4 O4 Si4 (N O Si)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 8, 17, 21, 27, 31, 44, 38, 55
  • 3, 10, 10, 26, 25, 29, 41, 48, 38, 68
  • 3, 12, 14, 20, 29, 35, 31, 54, 46, 54
  • 5, 8, 17, 21, 27, 31, 44, 38, 55, 55
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: N4 O4 Si4 (N O Si)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 6, 15, 12, 27, 18, 39, 24, 51
  • 3, 9, 9, 21, 15, 33, 21, 45, 27, 57
  • 4, 6, 15, 12, 27, 18, 39, 24, 51, 30
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