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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyMg2 by Materials Project

Mg2Dy 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 Dy atoms to form a mixture of face, edge, and corner-sharing MgDy6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Dy bond lengths are 3.55 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Dy atoms to form a mixture of face, edge, and corner-sharing MgDy6Mg6 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (3.51 Å) and four longer (3.53 Å) Mg–Dy bond lengths. Dy is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Dy atoms. There are one shorter (3.64 Å) and three longer (3.71 Å) Dy–Dy bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyMg2 by Materials Project

Mg2Dy is Cubic Laves structured and crystallizes in the trigonal R-3m 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 Dy atoms to form a mixture of face, edge, and corner-sharing MgDy6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Dy bond lengths are 3.53 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Dy atoms to form a mixture of face, edge, and corner-sharing MgDy6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are two shorter (3.52 Å) and four longer (3.54 Å) Mg–Dy bond lengths. Dy is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Dy atoms. There are three shorter (3.68 Å) and one longer (3.72 Å) Dy–Dy bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyMg2 by Materials Project

Mg2Dy crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six equivalent Dy atoms. There are a spread of Mg–Mg bond distances ranging from 3.00–3.31 Å. There are a spread of Mg–Dy bond distances ranging from 3.43–3.46 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six equivalent Dy atoms. The Mg–Mg bond length is 3.00 Å. There are a spread of Mg–Dy bond distances ranging from 3.43–3.45 Å. Dy is bonded in a 12-coordinate geometry to twelve Mg and two equivalent Dy atoms. Both Dy–Dy bond lengths are 3.31 Å.

36 MATERIALS SCIENCE↗