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DOE OSTI2020

Materials Data on GdTe by Materials Project

GdTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing GdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Te bond lengths are 3.13 Å. Te is bonded to six equivalent Gd atoms to form a mixture of edge and corner-sharing TeGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2Te3 by Materials Project

Gd2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing GdTe7 pentagonal bipyramids. There are a spread of Gd–Te bond distances ranging from 3.13–3.22 Å. In the second Gd3+ site, Gd3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Gd–Te bond distances ranging from 3.19–3.71 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing TeGd5 trigonal bipyramids. In the second Te2- site, Te2- is bonded to five Gd3+ atoms to form a mixture of distorted edge and corner-sharing TeGd5 square pyramids. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to five Gd3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdTe2 by Materials Project

GdTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Gd–Te bond distances ranging from 3.19–3.30 Å. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.12 Å. In the second Te+1.50- site, Te+1.50- is bonded to five equivalent Gd3+ atoms to form a mixture of distorted corner and edge-sharing TeGd5 trigonal bipyramids.

36 MATERIALS SCIENCE↗