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Figure 4
ELF computed for the fcc-Ca structure at a volume reduction of 6.3% (a = 5.408 Å), which is the volume of the fluorite CaF2 structure. This figure shows the presence of ELFs (isovalue of 0.5) at (¼, ¼, ¼), just at the centre of the tetrahedra occupied by the F atoms. Compare with the results obtained for CaO in Fig. 2[link](b). Blue spheres represent Ca atoms.

Journal logoSTRUCTURAL 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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