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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdSe by Materials Project

GdSe 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 Se atoms to form a mixture of corner and edge-sharing GdSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Se bond lengths are 2.93 Å. Se is bonded to six equivalent Gd atoms to form a mixture of corner and edge-sharing SeGd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Se4 by Materials Project

Gd3Se4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Gd is bonded to eight equivalent Se atoms to form a mixture of distorted corner, edge, and face-sharing GdSe8 hexagonal bipyramids. There are four shorter (2.95 Å) and four longer (3.12 Å) Gd–Se bond lengths. Se is bonded to six equivalent Gd atoms to form a mixture of distorted corner, edge, and face-sharing SeGd6 octahedra. The corner-sharing octahedra tilt angles range from 17–49°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSe2 by Materials Project

GdSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Gd–Se bond distances ranging from 3.00–3.09 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.89 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeGd5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2Se3 by Materials Project

Gd2Se3 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 Se2- atoms to form a mixture of distorted corner and edge-sharing GdSe7 pentagonal bipyramids. There are a spread of Gd–Se bond distances ranging from 2.91–2.97 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.99–3.51 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Gd3+ atoms to form a mixture of distorted corner and edge-sharing SeGd5 trigonal bipyramids. In the second Se2- site, Se2- is bonded to five Gd3+ atoms to form a mixture of distorted corner and edge-sharing SeGd5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Gd3+ atoms.

36 MATERIALS SCIENCE↗