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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdH3 by Materials Project

GdH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Gd–H bond distances ranging from 2.15–2.39 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Gd3+ atoms to form a mixture of corner, edge, and face-sharing HGd4 tetrahedra. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Gd3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdH3 by Materials Project

GdH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Gd3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Gd–H bond distances ranging from 2.16–2.52 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Gd3+ atoms. In the second H1- site, H1- is bonded to four equivalent Gd3+ atoms to form a mixture of distorted edge, face, and corner-sharing HGd4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Gd3+ atoms.

36 MATERIALS SCIENCE↗