Materials Data on CrSbTeO6 by Materials Project

Abstract

CrSbTeO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent SbO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one SbO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 46–54°. There are two shorter (2.04 Å) and four longer (2.05 Å) Cr–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent CrO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one CrO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 46–53°. There are a spread of Sb–O bond distances ranging from 2.02–2.04 Å. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with four equivalent CrO6 octahedra, corners with four equivalent SbO6 octahedra, an edgeedge with one CrO6 octahedra, and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Te–O bond distances ranging from 2.16–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr3+, one Sb5+, and one Te4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Cr3+, one Sb5+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr3+, one Sb5+, and one Te4+ atom.