Materials Data on Gd3SbO3 by Materials Project

Gd3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.42 Å) and two longer (3.47 Å) Gd–Sb bond lengths. There are a spread of Gd–O bond distances ranging from 2.29–2.66 Å. In the second Gd3+ site, Gd3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Gd–Sb bond lengths are 3.29 Å. There are a spread of Gd–O bond distances ranging from 2.24–2.35 Å. In the third Gd3+ site, Gd3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Gd–Sb bond lengths are 3.24 Å. There are a spread of Gd–O bond distances ranging from 2.26–2.46 Å. Sb3- is bonded in a body-centered cubic geometry to eight Gd3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 trigonal pyramids. In the third O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of distorted edge and corner-sharing OGd4 trigonal pyramids.