Materials Data on Ho3SbO3 by Materials Project

Abstract

Ho3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.35 Å) and two longer (3.40 Å) Ho–Sb bond lengths. There are a spread of Ho–O bond distances ranging from 2.24–2.67 Å. In the second Ho3+ site, Ho3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Ho–Sb bond lengths are 3.22 Å. There are a spread of Ho–O bond distances ranging from 2.19–2.29 Å. In the third Ho3+ site, Ho3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Ho–Sb bond lengths are 3.18 Å. There are a spread of Ho–O bond distances ranging from 2.20–2.40 Å. Sb3- is bonded in a body-centered cubic geometry to eight Ho3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. In the second O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 trigonal pyramids. In the third O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of distorted edge and corner-sharing OHo4 trigonal pyramids.