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Figure 4
3D deformation electron density maps; (first row) SiO4, (second row) CaO8. From left to right: experimental ambient pressure Exp_Amb, theoretical calculations TR2, experimental high-pressure Exp_1GPa and corresponding theoretical calculations TR1. Blue contour: +0.1 e Å−3; red contour: −0.1 e Å−3.

IUCrJ
Volume 7| Part 3| May 2020| Pages 383-392
ISSN: 2052-2525
https://doi.org/10.1107/S2052252520001955