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DOE OSTI2020

Materials Data on CsReO4 by Materials Project

CsReO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.17–3.39 Å. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.75 Å) and three longer (1.76 Å) Re–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+ and one Re7+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CsReO4 by Materials Project

CsReO4 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are four shorter (3.18 Å) and eight longer (3.57 Å) Cs–O bond lengths. Re7+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.76 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Re7+ atom.

36 MATERIALS SCIENCE↗