Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A17B4_cF420_216_a6efg4h_2efg-001

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H. Eckert, S. Divilov, M. J. Mehl, D. Hicks, A. C. Zettel, M. Esters. X. Campilongo and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 4. Submitted to Computational Materials Science.

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LiPb Structure: A17B4_cF420_216_a6efg4h_2efg-001





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Prototype LiPb
AFLOW prototype label A17B4_cF420_216_a6efg4h_2efg-001
ICSD 107216
Pearson symbol cF420
Space group number 216
Space group symbol
AFLOW prototype command aflow --proto=A17B4_cF420_216_a6efg4h_2efg-001
--params=

Other compounds with this structure

LiGe,  LiSi,  LiSn


  • (Goward, 2001) propose this as a replacement for the LiSi structure. The change in stoichiometry is accounted for by placing extra lithium atoms on the the (4c) site and an additional (16e) site , adjusting the stoichiometry to fit LiM or LiM as needed. Phase diagrams quoted in (Villars, 2018) support this change.


Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
= = (4a) Li I
= = (16e) Li II
= = (16e) Li II
= = (16e) Li II
= = (16e) Li II
= = (16e) Li III
= = (16e) Li III
= = (16e) Li III
= = (16e) Li III
= = (16e) Li IV
= = (16e) Li IV
= = (16e) Li IV
= = (16e) Li IV
= = (16e) Li V
= = (16e) Li V
= = (16e) Li V
= = (16e) Li V
= = (16e) Li VI
= = (16e) Li VI
= = (16e) Li VI
= = (16e) Li VI
= = (16e) Li VII
= = (16e) Li VII
= = (16e) Li VII
= = (16e) Li VII
= = (16e) Pb I
= = (16e) Pb I
= = (16e) Pb I
= = (16e) Pb I
= = (16e) Pb II
= = (16e) Pb II
= = (16e) Pb II
= = (16e) Pb II
= = (24f) Li VIII
= = (24f) Li VIII
= = (24f) Li VIII
= = (24f) Li VIII
= = (24f) Li VIII
= = (24f) Li VIII
= = (24f) Pb III
= = (24f) Pb III
= = (24f) Pb III
= = (24f) Pb III
= = (24f) Pb III
= = (24f) Pb III
= = (24g) Li IX
= = (24g) Li IX
= = (24g) Li IX
= = (24g) Li IX
= = (24g) Li IX
= = (24g) Li IX
= = (24g) Pb IV
= = (24g) Pb IV
= = (24g) Pb IV
= = (24g) Pb IV
= = (24g) Pb IV
= = (24g) Pb IV
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li X
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XI
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII
= = (48h) Li XIII

References

  • G. R. Goward, N. J. Taylor, D. C. S. Souza, and L. F. Nazar, The true crystal structure of LiM (M=Ge, Sn, Pb)-revised from LiM, J. Alloys Compd. 329, 82–91 (2001), doi:10.1016/S0925-8388(01)01567-5.
  • P. Villars, H. Okamoto, and K. Cenzual, eds., ASM Alloy Phase Diagram Database (ASM International, 2018), chap. Bismuth-Palladium Binary Phase Diagram (1994 Okamoto H.). Copyright © 2006-2018 ASM International.

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