Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material

Aree, T.; McMonagle, C.J; Michalchuk, A.A.L.; Chernyshov, D.

doi:10.1107/S2052520622002700

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

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Figure 4
The average absolute deviations of ADPs for each atom type in α-FOX-7, with $[\Delta U = {{1}\over{i}} \sum _{i}^{} \left[ U_i \left( \exp \right) - U_i \left( {\rm calc} \right)\right]]$ for the i atoms of each type. Values are shown as absolute deviations between the ADPs from the harmonic simulation and the diffraction experiment at each temperature.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 78| Part 3| June 2022| Pages 376-384

https://doi.org/10.1107/S2052520622002700

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