Materials Data on Cr2Te(PO4)3 by Materials Project

Abstract

Cr2Te(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cr+2.50+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (1.96 Å) and three longer (2.04 Å) Cr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 30–42°. There is two shorter (1.52 Å) and two longer (1.58 Å) P–O bond length. Te4+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Te–O bond lengths are 2.40 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cr+2.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cr+2.50+, one P5+, and one Te4+ atom.