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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdMg2Ni9 by Materials Project

Mg2GdNi9 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Mg–Ni bond distances ranging from 2.80–2.85 Å. Gd is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.80 Å) and twelve longer (3.14 Å) Gd–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Mg, two equivalent Gd, and seven Ni atoms to form a mixture of edge, face, and corner-sharing NiGd2Mg3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.39–2.45 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd and nine Ni atoms. All Ni–Ni bond lengths are 2.80 Å. In the third Ni site, Ni is bonded to six equivalent Mg and six equivalent Ni atoms to form NiMg6Ni6 cuboctahedra that share corners with twelve equivalent NiGd2Mg3Ni7 cuboctahedra, edges with six equivalent NiMg6Ni6 cuboctahedra, and faces with eighteen equivalent NiGd2Mg3Ni7 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdMgNi4 by Materials Project

GdNi4Mg is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Ni atoms. All Mg–Gd bond lengths are 3.04 Å. All Mg–Ni bond lengths are 2.90 Å. Gd is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All Gd–Ni bond lengths are 2.91 Å. Ni is bonded to three equivalent Mg, three equivalent Gd, and six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiGd3Mg3Ni6 cuboctahedra. There are three shorter (2.45 Å) and three longer (2.50 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2MgNi2 by Materials Project

Gd2Ni2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Ni atoms. All Mg–Ni bond lengths are 2.94 Å. Gd is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are two shorter (2.86 Å) and four longer (2.91 Å) Gd–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Gd, and one Ni atom. The Ni–Ni bond length is 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdMg3Ni8 by Materials Project

Mg3GdNi8 is Hexagonal Laves-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and twelve Ni atoms. There are one shorter (2.89 Å) and three longer (2.96 Å) Mg–Mg bond lengths. There are a spread of Mg–Ni bond distances ranging from 2.81–2.86 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, one Gd, and twelve Ni atoms. The Mg–Gd bond length is 3.06 Å. There are a spread of Mg–Ni bond distances ranging from 2.75–2.88 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to one Mg, three equivalent Gd, and twelve Ni atoms. All Mg–Gd bond lengths are 3.03 Å. There are a spread of Mg–Ni bond distances ranging from 2.83–2.99 Å. Gd is bonded in a 12-coordinate geometry to four Mg and twelve Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.87–2.90 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to four Mg, two equivalent Gd, and six Ni atoms to form a mixture of edge, face, and corner-sharing NiGd2Mg4Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.41–2.48 Å. In the second Ni site, Ni is bonded to five Mg, one Gd, and six Ni atoms to form a mixture of edge, face, and corner-sharing NiGdMg5Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.47 Å. In the third Ni site, Ni is bonded to six Mg and six Ni atoms to form NiMg6Ni6 cuboctahedra that share corners with eighteen NiGd2Mg4Ni6 cuboctahedra, edges with six equivalent NiMg6Ni6 cuboctahedra, and faces with eighteen NiGd2Mg4Ni6 cuboctahedra. In the fourth Ni site, Ni is bonded to three equivalent Mg, three equivalent Gd, and six Ni atoms to form NiGd3Mg3Ni6 cuboctahedra that share corners with eighteen NiGd2Mg4Ni6 cuboctahedra, edges with six equivalent NiGd3Mg3Ni6 cuboctahedra, and faces with eighteen NiGd2Mg4Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗