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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyMg3 by Materials Project

Mg3Dy is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Dy atoms. All Mg–Mg bond lengths are 3.17 Å. All Mg–Dy bond lengths are 3.17 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Dy atoms. All Mg–Dy bond lengths are 3.66 Å. Dy is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyMg by Materials Project

DyMg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.28 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
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 Dy5Mg24 by Materials Project

Mg24Dy5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Dy atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.39 Å. There are one shorter (3.21 Å) and one longer (3.70 Å) Mg–Dy bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Dy atoms. There are one shorter (2.88 Å) and two longer (3.05 Å) Mg–Mg bond lengths. There are a spread of Mg–Dy bond distances ranging from 3.45–3.60 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to fifteen Mg and one Dy atom. The Dy–Dy bond length is 3.60 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Mg by Materials Project

MgDy2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight Dy atoms. There are a spread of Mg–Dy bond distances ranging from 3.28–3.34 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Mg and four equivalent Dy atoms. There are two shorter (3.56 Å) and two longer (3.59 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form a mixture of distorted face, edge, and corner-sharing DyDy10Mg2 cuboctahedra. There are four shorter (3.40 Å) and two longer (3.68 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 Dy3Mg by Materials Project

MgDy3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Dy atoms. All Mg–Dy bond lengths are 3.38 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Mg and eight Dy atoms to form a mixture of edge, corner, and face-sharing DyDy8Mg4 cuboctahedra. There are four shorter (3.50 Å) and four longer (3.55 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to twelve Dy atoms to form DyDy12 cuboctahedra that share corners with four equivalent DyDy12 cuboctahedra, edges with sixteen equivalent DyDy8Mg4 cuboctahedra, and faces with sixteen DyDy8Mg4 cuboctahedra. All Dy–Dy bond lengths are 3.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyMg3 by Materials Project

Mg3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Dy atoms to form MgDy4Mg8 cuboctahedra that share corners with four equivalent DyMg12 cuboctahedra, corners with fourteen MgDy4Mg8 cuboctahedra, edges with six equivalent DyMg12 cuboctahedra, edges with twelve MgDy4Mg8 cuboctahedra, faces with four equivalent DyMg12 cuboctahedra, and faces with sixteen MgDy4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.21–3.39 Å. There are two shorter (3.25 Å) and two longer (3.33 Å) Mg–Dy bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Dy atoms to form MgDy4Mg8 cuboctahedra that share corners with four equivalent DyMg12 cuboctahedra, corners with fourteen MgDy4Mg8 cuboctahedra, edges with six equivalent DyMg12 cuboctahedra, edges with twelve MgDy4Mg8 cuboctahedra, faces with four equivalent DyMg12 cuboctahedra, and faces with sixteen MgDy4Mg8 cuboctahedra. Both Mg–Mg bond lengths are 3.21 Å. There are two shorter (3.25 Å) and two longer (3.33 Å) Mg–Dy bond lengths. In the third Mg site, Mg is bonded to eight Mg and four equivalent Dy atoms to form MgDy4Mg8 cuboctahedra that share corners with four equivalent DyMg12 cuboctahedra, corners with fourteen MgDy4Mg8 cuboctahedra, edges with six equivalent DyMg12 cuboctahedra, edges with twelve MgDy4Mg8 cuboctahedra, faces with four equivalent DyMg12 cuboctahedra, and faces with sixteen MgDy4Mg8 cuboctahedra. There are two shorter (3.25 Å) and two longer (3.33 Å) Mg–Dy bond lengths. Dy is bonded to twelve Mg atoms to form DyMg12 cuboctahedra that share corners with six equivalent DyMg12 cuboctahedra, corners with twelve MgDy4Mg8 cuboctahedra, edges with eighteen MgDy4Mg8 cuboctahedra, faces with eight equivalent DyMg12 cuboctahedra, and faces with twelve MgDy4Mg8 cuboctahedra.

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↗
DOE OSTI2020

Materials Data on Dy5Mg by Materials Project

MgDy5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Dy atoms to form MgDy12 cuboctahedra that share corners with six equivalent MgDy12 cuboctahedra, corners with twelve DyDy9Mg3 cuboctahedra, edges with six equivalent MgDy12 cuboctahedra, edges with twelve DyDy10Mg2 cuboctahedra, and faces with twenty DyDy10Mg2 cuboctahedra. There are six shorter (3.44 Å) and six longer (3.54 Å) Mg–Dy bond lengths. There are nine inequivalent Dy sites. In the first Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with eighteen DyDy10Mg2 cuboctahedra, edges with four equivalent MgDy12 cuboctahedra, edges with fourteen DyDy10Mg2 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.42–3.61 Å. In the second Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with eighteen DyDy10Mg2 cuboctahedra, edges with four equivalent MgDy12 cuboctahedra, edges with fourteen DyDy10Mg2 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.42–3.61 Å. In the third Dy site, Dy is bonded to three equivalent Mg and nine Dy atoms to form DyDy9Mg3 cuboctahedra that share corners with six equivalent MgDy12 cuboctahedra, corners with twelve DyDy9Mg3 cuboctahedra, edges with eighteen DyDy10Mg2 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.42–3.54 Å. In the fourth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with eighteen DyDy10Mg2 cuboctahedra, edges with four equivalent MgDy12 cuboctahedra, edges with fourteen DyDy9Mg3 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. There are one shorter (3.42 Å) and one longer (3.49 Å) Dy–Dy bond lengths. In the fifth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with eighteen DyDy10Mg2 cuboctahedra, edges with four equivalent MgDy12 cuboctahedra, edges with fourteen DyDy9Mg3 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.42–3.61 Å. In the sixth Dy site, Dy is bonded to three equivalent Mg and nine Dy atoms to form DyDy9Mg3 cuboctahedra that share corners with six equivalent MgDy12 cuboctahedra, corners with twelve DyDy9Mg3 cuboctahedra, edges with eighteen DyDy10Mg2 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. All Dy–Mg bond lengths are 3.54 Å. There are one shorter (3.49 Å) and three longer (3.54 Å) Dy–Dy bond lengths. In the seventh Dy site, Dy is bonded to three equivalent Mg and nine Dy atoms to form DyDy9Mg3 cuboctahedra that share corners with six equivalent MgDy12 cuboctahedra, corners with twelve DyDy9Mg3 cuboctahedra, edges with eighteen DyDy10Mg2 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. All Dy–Mg bond lengths are 3.54 Å. The Dy–Dy bond length is 3.42 Å. In the eighth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with eighteen DyDy10Mg2 cuboctahedra, edges with four equivalent MgDy12 cuboctahedra, edges with fourteen DyDy9Mg3 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. Both Dy–Mg bond lengths are 3.44 Å. There are a spread of Dy–Dy bond distances ranging from 3.42–3.61 Å. In the ninth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with eighteen DyDy10Mg2 cuboctahedra, edges with four equivalent MgDy12 cuboctahedra, edges with fourteen DyDy9Mg3 cuboctahedra, faces with four equivalent MgDy12 cuboctahedra, and faces with sixteen DyDy10Mg2 cuboctahedra. There are two shorter (3.51 Å) and one longer (3.61 Å) Dy–Dy bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy5Mg by Materials Project

MgDy5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Dy atoms. There are a spread of Mg–Dy bond distances ranging from 3.45–3.57 Å. There are five inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Dy atoms to form DyDy12 cuboctahedra that share corners with eighteen DyDy12 cuboctahedra, edges with ten DyDy10Mg2 cuboctahedra, and faces with eighteen DyDy12 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.46–3.59 Å. In the second Dy site, Dy is bonded to four equivalent Mg and eight Dy atoms to form a mixture of face, edge, and corner-sharing DyDy8Mg4 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.46–3.57 Å. In the third Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form a mixture of face, edge, and corner-sharing DyDy10Mg2 cuboctahedra. There are four shorter (3.46 Å) and two longer (3.57 Å) Dy–Dy bond lengths. In the fourth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with twelve DyDy10Mg2 cuboctahedra, edges with fifteen DyDy12 cuboctahedra, and faces with eighteen DyDy12 cuboctahedra. There are two shorter (3.56 Å) and two longer (3.57 Å) Dy–Dy bond lengths. In the fifth Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form DyDy10Mg2 cuboctahedra that share corners with twelve DyDy10Mg2 cuboctahedra, edges with fifteen DyDy8Mg4 cuboctahedra, and faces with eighteen DyDy12 cuboctahedra. Both Dy–Dy bond lengths are 3.57 Å.

36 MATERIALS SCIENCE↗