Materials Data on V2CdO10 by Materials Project

Abstract

V2CdO8O2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional and consists of four oxygen molecules and one V2CdO8 framework. In the V2CdO8 framework, there are two inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. In the second V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. Cd is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Cd–O bond distances ranging from 2.17–2.74 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one V and one Cd atom. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one Cd atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three V atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one V and one Cd atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one V and one Cd atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Cd and one O atom. The O–O bond length is 1.24 Å. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Cd and one O atom.