Materials Data on ReBiO4 by Materials Project
BiReO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. There are a spread of Re–O bond distances ranging from 1.89–2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.29 Å) and four longer (2.44 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Re5+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OReBi3 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Re5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re5+ atoms.