%0 Journal Article
%A Mikhailova, Daria
%A Avdoshenko, Stanislav M.
%A Avdeev, Maxim
%A Hanfland, Michael
%A Schwarz, Ulrich
%A Prots, Yurii
%A Sarapulova, Angelina
%A Glazyrin, Konstantin
%A Dubrovinsky, Leonid
%A Senyshyn, Anatoliy
%A Engel, Jens
%A Ehrenberg, Helmut
%A Tsirlin, Alexander A.
%T Metallization without Charge Transfer in CuReO<sub>4</sub> Perrhenate under Pressure
%J Inorganic chemistry
%V 64
%N 12
%@ 0020-1669
%C Washington, DC
%I American Chemical Society
%M PUBDB-2025-03881
%P 6010 - 6022
%D 2025
%X Using high-pressure synchrotron X-ray diffraction combined with Raman spectroscopy and density-functional calculations, we determined the sequence of the pressure-induced transformations in CuReO<sub>4</sub>. At 1.5 GPa, the lattice symmetry changes from I4<sub>1</sub>cd to I4<sub>1</sub>/a with the transformation of isolated ReO<sub>4</sub>-tetrahedra into infinite chains of ReO<sub>6</sub>-octahedra. The second, isosymmetric transition at 7 GPa leads to the formation of a NbO<sub>2</sub>-type structure with the octahedral oxygen coordination for both Cu<sup>1+</sup> and Re<sup>7+</sup> cations. Both transitions are of the first order and accompanied by discontinuities in the unit-cell volume of 7 and 14
%F PUB:(DE-HGF)16
%9 Journal Article
%R 10.1021/acs.inorgchem.4c05051
%U https://bib-pubdb1.desy.de/record/637655