Materials Data on VCdCoO5 by Materials Project

Abstract

VCoCdO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–2.11 Å. Cd2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.18–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Co3+, and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Co3+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Co3+ and one Cd2+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one V5+ and one Cd2+ atom.