Comparison of the temperature- and pressure-dependent behavior of the crystal structure of CrAs

Acta crystallographica / B 77(4), 594 - 604 (2021). doi:10.1107/S2052520621005655
The crystal structure of CrAs was investigated using synchrotron X-ray single-crystal diffraction for separate dependences on temperature (30–400 K) and on pressure (0–9.46 GPa). The isosymmetrical magnetostructural phase transition at T$_N$ = 267 K can induce a change in the microstructure by twinning due to a crossing of the orthohexagonal setting of the unit-cell parameter ratio c/b. Within the crystal structure, one particular Cr–Cr distance exhibits anomalous behavior in that it is nearly unaffected by temperature and pressure in the paramagnetic phase, which is stable above 267 K and at high pressures. The distinction of this shortest Cr–Cr distance might be of importance for the superconducting properties of CrAs.
Published by Wiley-Blackwell, Oxford [u.a.]