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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoMg2 by Materials Project

Mg2Ho is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Ho atoms to form a mixture of face, edge, and corner-sharing MgHo6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Ho bond lengths are 3.54 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Ho atoms to form a mixture of face, edge, and corner-sharing MgHo6Mg6 cuboctahedra. There are two shorter (2.94 Å) and two longer (3.10 Å) Mg–Mg bond lengths. There are two shorter (3.51 Å) and four longer (3.52 Å) Mg–Ho bond lengths. Ho is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Ho atoms. There are one shorter (3.63 Å) and three longer (3.70 Å) Ho–Ho bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoMg2 by Materials Project

Mg2Ho is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Ho atoms to form a mixture of edge, face, and corner-sharing MgHo6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. All Mg–Ho bond lengths are 3.53 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Ho atoms to form a mixture of edge, face, and corner-sharing MgHo6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are two shorter (3.51 Å) and four longer (3.54 Å) Mg–Ho bond lengths. Ho is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Ho atoms. There are one shorter (3.68 Å) and three longer (3.69 Å) Ho–Ho bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoMg2 by Materials Project

Mg2Ho crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to five equivalent Mg and six equivalent Ho atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.30 Å. There are two shorter (3.42 Å) and four longer (3.43 Å) Mg–Ho bond lengths. Ho is bonded in a 12-coordinate geometry to twelve equivalent Mg and two equivalent Ho atoms. Both Ho–Ho bond lengths are 3.30 Å.

36 MATERIALS SCIENCE↗