Materials Data on Zn2BiO6 by Materials Project

Abstract

Zn2BiO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with four equivalent ZnO6 octahedra, corners with four equivalent BiO6 octahedra, an edgeedge with one ZnO6 octahedra, and an edgeedge with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–54°. There are a spread of Zn–O bond distances ranging from 2.03–2.07 Å. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with eight equivalent ZnO6 octahedra and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.15 Å) and four longer (2.16 Å) Bi–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one Bi atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Zn and one Bi atom.