Structure 4002803

4002802 << 4002803 >> 4002804
Original COD entry Download CIF Download DOT

Citation: Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping (2016). Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors. Chemistry of Materials, 28, pp. 4024-.

Formula: Ca16 N64 Si40

Cell parameters:

  • a = 9.71263788 Å
  • b = 13.69531514 Å
  • c = 10.66420399 Å
  • α = 90.00000000°
  • β = 90.00000000°
  • γ = 90.00000000°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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 0;0;1)

Dimensionality: 3

Formula: N64 Si40 (N8 Si5)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 8, 20, 26, 56, 52, 104, 86, 172
  • 2, 6, 8, 20, 26, 57, 48, 95, 87, 179
  • 2, 6, 9, 21, 26, 57, 51, 104, 89, 166
  • 2, 6, 9, 22, 26, 57, 50, 104, 90, 169
  • 3, 9, 11, 26, 26, 57, 53, 112, 95, 172
  • 3, 9, 12, 27, 27, 63, 60, 113, 93, 179
  • 3, 9, 12, 28, 26, 59, 59, 117, 96, 178
  • 3, 9, 12, 28, 27, 60, 58, 117, 95, 173
  • 4, 4, 11, 18, 42, 41, 82, 69, 142, 118
  • 4, 7, 17, 18, 42, 42, 88, 74, 141, 117
  • 4, 7, 17, 18, 43, 41, 81, 74, 153, 118
  • 4, 7, 18, 19, 41, 42, 93, 79, 144, 116
  • 4, 7, 18, 19, 42, 40, 87, 81, 151, 113
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