Study on the structural phase transitions in NaSICON-type compounds using Ag3Sc2(PO4)3 as a model system

Redhammer, G.J.; Tippelt, G.; Stahl, Q.; Benisek, A.; Rettenwander, D.

doi:10.1107/S2052520620014870

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

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Figure 5
(a) The Ag₃Sc₂(PO₄)₃ structure at 300 K in the R $[\overline{3}]$ c phase, with anisotropic atomic displacement ellipsoids at the 95% probability level, compared to the calculated bond-valence electron landscape maps [at the 0.02 (dark blue), 0.20 (green) and 0.45 eV (yellow) level above minimum] (b) without and (c) with the experimentally obtained Ag⁺ positions.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 77| Part 1| February 2021| Pages 10-22

https://doi.org/10.1107/S2052520620014870

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