Materials Data on V2Cd2O7 by Materials Project
Cd2V2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent CdO6 pentagonal pyramids and a cornercorner with one VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.73–1.79 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 pentagonal pyramids that share corners with six equivalent VO4 tetrahedra and edges with three equivalent CdO6 pentagonal pyramids. There are a spread of Cd–O bond distances ranging from 2.27–2.44 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Cd2+ atoms.