Structure 4002788

4002787 << 4002788 >> 4002789
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: Ca20 Mg12 N32 Si8

Cell parameters:

  • a = 15.02581370 Å
  • b = 8.35720405 Å
  • c = 10.44655876 Å
  • α = 90.00000000°
  • β = 133.66970821°
  • 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: Mg12 N32 Si8 (Mg3 N8 Si2)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 5, 8, 15, 21, 26, 49, 55, 74
  • 2, 4, 10, 8, 22, 24, 38, 56, 76, 78
  • 2, 7, 8, 11, 20, 30, 36, 63, 66, 96
  • 2, 7, 9, 11, 18, 30, 37, 65, 70, 92
  • 3, 6, 6, 16, 16, 30, 41, 58, 66, 107
  • 4, 6, 10, 12, 20, 31, 47, 52, 82, 96
  • 5, 5, 8, 15, 21, 26, 49, 55, 74, 98
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