Materials Data on ReW2Br by Materials Project

Abstract

W2ReBr crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded to four equivalent W, four equivalent Re, and six equivalent Br atoms to form distorted WRe4W4Br6 tetrahedra that share corners with eighteen WRe4W4Br6 tetrahedra and faces with sixteen WW4Br4 tetrahedra. All W–W bond lengths are 2.78 Å. All W–Re bond lengths are 2.78 Å. All W–Br bond lengths are 3.21 Å. In the second W site, W is bonded to four equivalent W and four equivalent Br atoms to form distorted WW4Br4 tetrahedra that share corners with twelve equivalent WRe4W4Br6 tetrahedra, edges with twelve equivalent WW4Br4 tetrahedra, and faces with four equivalent WRe4W4Br6 tetrahedra. All W–Br bond lengths are 2.78 Å. Re is bonded in a distorted body-centered cubic geometry to four equivalent W and four equivalent Br atoms. All Re–Br bond lengths are 2.78 Å. Br is bonded in a distorted body-centered cubic geometry to ten W and four equivalent Re atoms.