Structure 4002775

4002774 << 4002775 >> 4002776
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: Al12 Ca4 Li4 N16

Cell parameters:

  • a = 5.81277945 Å
  • b = 7.43215697 Å
  • c = 9.83773311 Å
  • α = 84.21890335°
  • β = 77.09288833°
  • γ = 79.76299481°

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: Al12 N16 (Al3 N4)

Multiplicity: 1

Coordination sequences:

  • 3, 9, 15, 46, 64, 106, 161, 206, 289, 363
  • 3, 10, 20, 47, 70, 117, 174, 198, 282, 352
  • 3, 11, 19, 46, 72, 111, 159, 222, 286, 364
  • 3, 11, 22, 55, 70, 127, 166, 214, 296, 364
  • 3, 12, 20, 44, 85, 118, 165, 218, 301, 339
  • 3, 12, 22, 43, 82, 115, 154, 219, 302, 324
  • 3, 13, 23, 49, 79, 121, 170, 222, 302, 374
  • 3, 14, 24, 49, 80, 128, 167, 231, 296, 377
  • 5, 8, 26, 45, 79, 112, 159, 236, 307, 358
  • 5, 9, 28, 42, 79, 125, 172, 219, 293, 380
  • 5, 9, 28, 48, 86, 128, 166, 231, 296, 383
  • 6, 14, 33, 54, 91, 125, 176, 246, 304, 379
  • 7, 13, 28, 54, 90, 135, 171, 236, 314, 374
  • 8, 17, 28, 61, 104, 125, 186, 258, 313, 371
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