Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB4_hP30_194_h_afhk-001

If you are using this page, please cite:
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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https://aflow.org/p/JAJR
or https://aflow.org/p/AB4_hP30_194_h_afhk-001
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BaLi Structure: AB4_hP30_194_h_afhk-001





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Prototype BaLi
AFLOW prototype label AB4_hP30_194_h_afhk-001
ICSD 409902
Pearson symbol hP30
Space group number 194
Space group symbol
AFLOW prototype command aflow --proto=AB4_hP30_194_h_afhk-001
--params=


Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
= = (2a) Li I
= = (2a) Li I
= = (4f) Li II
= = (4f) Li II
= = (4f) Li II
= = (4f) Li II
= = (6h) Ba I
= = (6h) Ba I
= = (6h) Ba I
= = (6h) Ba I
= = (6h) Ba I
= = (6h) Ba I
= = (6h) Li III
= = (6h) Li III
= = (6h) Li III
= = (6h) Li III
= = (6h) Li III
= = (6h) Li III
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV
= = (12k) Li IV

References

  • V. Smetana, V. Babizhetskyy, C. Hoch, and A. Simon, Refinement of the crystal structure of barium tetralithium, BaLi, Z. Kristallogr. 221, 434 (2006), doi:10.1524/ncrs.2006.0142.

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