Materials Data on Lu2V2O7 by Materials Project

Abstract

Lu2V2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.19 Å. V4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.15 Å) and two longer (2.17 Å) V–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent V4+ atoms to form a mixture of corner and edge-sharing OLu2V2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent V4+ atoms to form a mixture of corner and edge-sharing OV4 tetrahedra.