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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La3Al by Materials Project

AlLa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to eight equivalent La and four equivalent Al atoms to form distorted LaLa8Al4 cuboctahedra that share corners with twelve equivalent LaLa8Al4 cuboctahedra, edges with eight equivalent AlLa12 cuboctahedra, edges with sixteen equivalent LaLa8Al4 cuboctahedra, faces with four equivalent AlLa12 cuboctahedra, and faces with fourteen equivalent LaLa8Al4 cuboctahedra. All La–La bond lengths are 3.52 Å. All La–Al bond lengths are 3.52 Å. Al is bonded to twelve equivalent La atoms to form AlLa12 cuboctahedra that share corners with twelve equivalent AlLa12 cuboctahedra, edges with twenty-four equivalent LaLa8Al4 cuboctahedra, faces with six equivalent AlLa12 cuboctahedra, and faces with twelve equivalent LaLa8Al4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAl by Materials Project

LaAl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of La–Al bond distances ranging from 3.24–3.61 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight equivalent La and two equivalent Al atoms. Both Al–Al bond lengths are 2.76 Å. In the second Al site, Al is bonded to eight equivalent La and four Al atoms to form a mixture of edge, face, and corner-sharing AlLa8Al4 cuboctahedra. Both Al–Al bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Al11 by Materials Project

Al11La3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to sixteen Al atoms to form distorted LaAl16 cuboctahedra that share corners with four equivalent AlLa4Al8 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with six AlLa4Al8 cuboctahedra. There are a spread of La–Al bond distances ranging from 3.31–3.65 Å. In the second La site, La is bonded in a 12-coordinate geometry to fourteen Al atoms. There are a spread of La–Al bond distances ranging from 3.25–3.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to four equivalent La and eight Al atoms to form distorted AlLa4Al8 cuboctahedra that share corners with four equivalent LaAl16 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with six AlLa4Al8 cuboctahedra. There are four shorter (2.92 Å) and four longer (3.11 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four La and eight Al atoms to form distorted AlLa4Al8 cuboctahedra that share corners with four equivalent AlLa4Al8 cuboctahedra, an edgeedge with one AlLa4Al8 cuboctahedra, faces with two equivalent LaAl16 cuboctahedra, and faces with five AlLa4Al8 cuboctahedra. There are two shorter (2.67 Å) and four longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 9-coordinate geometry to four La and five Al atoms. There are three shorter (2.67 Å) and one longer (2.76 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 10-coordinate geometry to four La and six Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAl4 by Materials Project

Al4La crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of La–Al bond distances ranging from 3.33–3.60 Å. In the second La site, La is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of La–Al bond distances ranging from 3.33–3.63 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded to four La and eight Al atoms to form a mixture of distorted face and corner-sharing AlLa4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.65–3.08 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent La and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.57–2.66 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to four La and five Al atoms. There are one shorter (2.57 Å) and three longer (2.66 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four La and eight Al atoms. All Al–Al bond lengths are 3.11 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to four La and eight Al atoms. The Al–Al bond length is 2.65 Å. In the sixth Al site, Al is bonded in a 9-coordinate geometry to four equivalent La and five Al atoms. Both Al–Al bond lengths are 2.67 Å. In the seventh Al site, Al is bonded in a 9-coordinate geometry to four La and five Al atoms. The Al–Al bond length is 2.66 Å. In the eighth Al site, Al is bonded to four La and eight Al atoms to form a mixture of distorted face and corner-sharing AlLa4Al8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAl2 by Materials Project

LaAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Al atoms. All La–Al bond lengths are 3.38 Å. Al is bonded to six equivalent La and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlLa6Al6 cuboctahedra. All Al–Al bond lengths are 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La16Al13 by Materials Project

La16Al13 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to six Al atoms. There are a spread of La–Al bond distances ranging from 3.26–3.57 Å. In the second La site, La is bonded in a 5-coordinate geometry to six Al atoms. There are a spread of La–Al bond distances ranging from 3.32–3.63 Å. In the third La site, La is bonded in a 6-coordinate geometry to seven Al atoms. There are a spread of La–Al bond distances ranging from 3.29–3.79 Å. In the fourth La site, La is bonded in a 1-coordinate geometry to nine Al atoms. There are a spread of La–Al bond distances ranging from 3.20–3.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded to nine La and three equivalent Al atoms to form face-sharing AlLa9Al3 cuboctahedra. All Al–Al bond lengths are 2.69 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to eight La and two Al atoms. The Al–Al bond length is 2.67 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to seven La and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 11-coordinate geometry to eleven La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAl3 by Materials Project

LaAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded to twelve equivalent Al atoms to form a mixture of distorted face and corner-sharing LaAl12 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.34 Å) La–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent La and six equivalent Al atoms. There are two shorter (2.76 Å) and four longer (2.83 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Al by Materials Project

AlLa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight equivalent La and four equivalent Al atoms. There are a spread of La–La bond distances ranging from 3.32–3.95 Å. There are two shorter (3.34 Å) and two longer (3.64 Å) La–Al bond lengths. Al is bonded to twelve equivalent La atoms to form a mixture of face and corner-sharing AlLa12 cuboctahedra.

36 MATERIALS SCIENCE↗