Materials Data on Gd8Sb3O8 by Materials Project

Gd8Sb3O8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 4-coordinate geometry to four Sb+2.67- and four O2- atoms. There are a spread of Gd–Sb bond distances ranging from 3.38–3.56 Å. There are a spread of Gd–O bond distances ranging from 2.24–2.37 Å. In the second Gd3+ site, Gd3+ is bonded in a 3-coordinate geometry to four Sb+2.67- and three O2- atoms. There are a spread of Gd–Sb bond distances ranging from 3.33–3.52 Å. There are one shorter (2.26 Å) and two longer (2.27 Å) Gd–O bond lengths. In the third Gd3+ site, Gd3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb+2.67- and four O2- atoms. Both Gd–Sb bond lengths are 3.27 Å. There are a spread of Gd–O bond distances ranging from 2.26–2.49 Å. In the fourth Gd3+ site, Gd3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb+2.67- and four O2- atoms. There are one shorter (3.31 Å) and one longer (3.32 Å) Gd–Sb bond lengths. There are a spread of Gd–O bond distances ranging from 2.25–2.36 Å. There are two inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a body-centered cubic geometry to eight Gd3+ atoms. In the second Sb+2.67- site, Sb+2.67- is bonded in a body-centered cubic geometry to eight Gd3+ atoms. There are four 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 in a distorted trigonal planar geometry to three Gd3+ atoms. 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. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra.