Materials Data on Cd(PO4)2 by Materials Project

Abstract

Cd(PO4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.25–2.51 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Cd atom.