Materials Data on Y2Bi2O7 by Materials Project

Abstract

Y2Bi2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.38 Å. Bi4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.08–2.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Bi4+ atom. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi4+ atoms to form distorted edge-sharing OY2Bi2 trigonal pyramids. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Bi4+ atoms.