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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3SbO7 by Materials Project

Gd3SbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.34–2.67 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with two equivalent SbO6 octahedra, a cornercorner with one GdO7 pentagonal bipyramid, edges with two equivalent SbO6 octahedra, and edges with three equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are a spread of Gd–O bond distances ranging from 2.24–2.52 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent GdO7 pentagonal bipyramids, and edges with four equivalent GdO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are four shorter (2.00 Å) and two longer (2.03 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Gd3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Gd3+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the fourth O2- site, O2- is bonded to four Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2SbO2 by Materials Project

Gd2SbO2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four equivalent O2- atoms. There are two shorter (3.49 Å) and two longer (3.57 Å) Gd–Sb bond lengths. There are one shorter (2.26 Å) and three longer (2.27 Å) Gd–O bond lengths. Sb2- is bonded in a body-centered cubic geometry to eight equivalent Gd3+ atoms. O2- is bonded to four equivalent Gd3+ atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra.

36 MATERIALS SCIENCE↗