Towards a generalized vision of oxides: disclosing the role of cations and anions in determining unit-cell dimensions

Vegas, Á.; Mattesini, M.

doi:10.1107/S0108768110013200

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 3
(a) ELF for the sc-Ca structure, with unit-cell parameter a = 3.498 Å (0 GPa). (b) ELF calculated with a = 2.645 Å (39 GPa), showing the charge concentration at the centre of the cell. Blue spheres represent Ca atoms.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 66| Part 3| June 2010| Pages 338-344

https://doi.org/10.1107/S0108768110013200

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