Materials Data on NiTeO4 by Materials Project

Abstract

NiTeO4 is trigonal omega-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with four equivalent TeO6 octahedra. There are four shorter (2.09 Å) and two longer (2.15 Å) Ni–O bond lengths. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with two equivalent TeO6 octahedra and edges with four equivalent NiO6 octahedra. There is two shorter (1.90 Å) and four longer (2.04 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Ni4+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni4+ and one Te4+ atom.