Materials Data on Lu(BiO2)3 by Materials Project

Abstract

Lu(BiO2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.23 Å. In the second Lu3+ site, Lu3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.22 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.65 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Lu3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLuBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Lu3+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLuBi3 trigonal pyramids.