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Materials Data on DyAl by Materials Project

DyAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Dy–Al bond lengths are 3.12 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyAl3 by Materials Project

Al3Dy is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with sixteen equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with eight equivalent AlDy4Al8 cuboctahedra. There are four shorter (2.96 Å) and eight longer (3.11 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a square co-planar geometry to four equivalent Dy and eight equivalent Al atoms. All Al–Al bond lengths are 3.11 Å. In the second Al site, Al is bonded to four equivalent Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with eight equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with ten equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 2.96 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyAl by Materials Project

DyAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.07–3.41 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.08–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Dy and two equivalent Al atoms. Both Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded to eight Dy and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlDy8Al4 cuboctahedra. Both Al–Al bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyAl2 by Materials Project

DyAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy and twelve equivalent Al atoms. All Dy–Dy bond lengths are 3.41 Å. All Dy–Al bond lengths are 3.26 Å. Al is bonded to six equivalent Dy and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlDy6Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyAl3 by Materials Project

Al3Dy is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Al atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent DyAl12 cuboctahedra, edges with twenty-four equivalent AlDy4Al8 cuboctahedra, faces with six equivalent DyAl12 cuboctahedra, and faces with twelve equivalent AlDy4Al8 cuboctahedra. All Dy–Al bond lengths are 3.01 Å. Al is bonded to four equivalent Dy and eight equivalent Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with sixteen equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with fourteen equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 3.01 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyAl3 by Materials Project

Al3Dy crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent DyAl12 cuboctahedra, corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with six equivalent AlDy4Al8 cuboctahedra, and faces with eight DyAl12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent DyAl12 cuboctahedra, edges with twelve equivalent AlDy4Al8 cuboctahedra, faces with six equivalent DyAl12 cuboctahedra, and faces with six equivalent AlDy4Al8 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.07 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Dy and six Al atoms. There are two shorter (2.75 Å) and four longer (2.92 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, corners with fourteen equivalent AlDy4Al8 cuboctahedra, edges with four equivalent AlDy4Al8 cuboctahedra, edges with six DyAl12 cuboctahedra, faces with four DyAl12 cuboctahedra, and faces with six equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 3.06 Å.

36 MATERIALS SCIENCE↗

Materials Data on Dy3Al2 by Materials Project

Dy3Al2 crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted square co-planar geometry to four Al atoms. All Dy–Al bond lengths are 3.30 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six Al atoms. There are a spread of Dy–Al bond distances ranging from 3.07–3.22 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to six Al atoms. There are a spread of Dy–Al bond distances ranging from 3.10–3.12 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Dy and two Al atoms. There are one shorter (2.78 Å) and one longer (2.92 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Dy and two Al atoms. The Al–Al bond length is 2.76 Å.

36 MATERIALS SCIENCE↗

Materials Data on DyAl3 by Materials Project

Al3Dy crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing DyAl12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.14 Å) Dy–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Dy and six equivalent Al atoms. There are two shorter (2.76 Å) and four longer (2.81 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Dy2Al by Materials Project

Dy2Al is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 5-coordinate geometry to five equivalent Al atoms. There are a spread of Dy–Al bond distances ranging from 3.06–3.39 Å. In the second Dy site, Dy is bonded in a 3-coordinate geometry to five equivalent Al atoms. There are a spread of Dy–Al bond distances ranging from 3.16–3.55 Å. Al is bonded in a 10-coordinate geometry to ten Dy atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyAl3 by Materials Project

Al3Dy crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent DyAl12 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with six equivalent AlDy4Al8 cuboctahedra, and faces with eight equivalent DyAl12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.09 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent AlDy4Al8 cuboctahedra, corners with nine equivalent DyAl12 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with three equivalent AlDy4Al8 cuboctahedra, and faces with seven DyAl12 cuboctahedra. There are a spread of Dy–Al bond distances ranging from 3.02–3.10 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Dy and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.89 Å. In the second Al site, Al is bonded to four Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, corners with six equivalent AlDy4Al8 cuboctahedra, edges with four equivalent AlDy4Al8 cuboctahedra, edges with six DyAl12 cuboctahedra, faces with four DyAl12 cuboctahedra, and faces with four equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 3.09 Å.

36 MATERIALS SCIENCE↗