Inorganic structure prediction with GRINSP

Le Bail, A.

doi:10.1107/S0021889805002384

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 9
Combination of octahedra with two different sizes. Hypothetical [Ca₃Al₄F₂₁]³⁻: space group P $[\bar{4}]$ 3n, a = 9.160 Å, R = 0.0127, PCOD1010005. One can distinguish the tetrahedra of [AlF₆] octahedra existing in the τ-AlF₃ variety and in the pyrochlore structure type.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 38| Part 2| April 2005| Pages 389-395

https://doi.org/10.1107/S0021889805002384

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