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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent La atoms to form a mixture of edge, face, and corner-sharing MgLa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. All Mg–La bond lengths are 3.64 Å. La is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent La atoms. All La–La bond lengths are 3.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four Mg and four equivalent La atoms. There are two shorter (3.16 Å) and two longer (3.24 Å) Mg–Mg bond lengths. All Mg–La bond lengths are 3.42 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent La atoms to form MgLa6Mg6 cuboctahedra that share corners with eighteen equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent MgLa6Mg6 cuboctahedra, faces with two equivalent MgLa6Mg6 cuboctahedra, and faces with six equivalent LaLa3Mg9 cuboctahedra. All Mg–La bond lengths are 3.51 Å. La is bonded to nine Mg and three equivalent La atoms to form LaLa3Mg9 cuboctahedra that share corners with nine equivalent MgLa6Mg6 cuboctahedra, corners with nine equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent LaLa3Mg9 cuboctahedra, faces with three equivalent MgLa6Mg6 cuboctahedra, and faces with five equivalent LaLa3Mg9 cuboctahedra. All La–La bond lengths are 3.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La 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 La atoms to form a mixture of corner, edge, and face-sharing MgLa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–La bond lengths are 3.71 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent La atoms to form a mixture of corner, edge, and face-sharing MgLa6Mg6 cuboctahedra. There are two shorter (3.09 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are four shorter (3.55 Å) and two longer (3.72 Å) Mg–La bond lengths. La is bonded in a 6-coordinate geometry to twelve Mg and one La atom. The La–La bond length is 3.33 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.21–3.55 Å. There are two shorter (3.48 Å) and one longer (3.65 Å) Mg–La bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent La atoms. There are one shorter (3.10 Å) and two longer (3.43 Å) Mg–Mg bond lengths. There are two shorter (3.43 Å) and two longer (3.58 Å) Mg–La bond lengths. La is bonded to seven Mg and five equivalent La atoms to form a mixture of face, edge, and corner-sharing LaLa5Mg7 cuboctahedra. There are a spread of La–La bond distances ranging from 3.39–3.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent La atoms to form MgLa5Mg7 cuboctahedra that share corners with six equivalent MgLa5Mg7 cuboctahedra, corners with six equivalent LaLa3Mg9 cuboctahedra, edges with five equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent MgLa5Mg7 cuboctahedra, faces with five equivalent MgLa5Mg7 cuboctahedra, and faces with eight equivalent LaLa3Mg9 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.35 Å. There are a spread of Mg–La bond distances ranging from 3.52–3.66 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to seven Mg and four equivalent La atoms. There are two shorter (3.17 Å) and two longer (3.35 Å) Mg–Mg bond lengths. There are two shorter (3.43 Å) and two longer (3.49 Å) Mg–La bond lengths. La is bonded to nine Mg and three equivalent La atoms to form LaLa3Mg9 cuboctahedra that share corners with six equivalent MgLa5Mg7 cuboctahedra, corners with six equivalent LaLa3Mg9 cuboctahedra, edges with four equivalent LaLa3Mg9 cuboctahedra, edges with five equivalent MgLa5Mg7 cuboctahedra, faces with six equivalent LaLa3Mg9 cuboctahedra, and faces with eight equivalent MgLa5Mg7 cuboctahedra. There are one shorter (3.27 Å) and two longer (3.35 Å) La–La bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent La atoms to form distorted MgLa5Mg7 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve equivalent MgLa5Mg7 cuboctahedra, edges with four equivalent LaLa2Mg10 cuboctahedra, edges with fourteen equivalent MgLa5Mg7 cuboctahedra, faces with eight equivalent LaLa2Mg10 cuboctahedra, and faces with twelve equivalent MgLa5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.37–3.50 Å. There are a spread of Mg–La bond distances ranging from 3.36–3.53 Å. La is bonded to ten equivalent Mg and two equivalent La atoms to form LaLa2Mg10 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve equivalent MgLa5Mg7 cuboctahedra, edges with eight equivalent MgLa5Mg7 cuboctahedra, edges with ten equivalent LaLa2Mg10 cuboctahedra, faces with four equivalent LaLa2Mg10 cuboctahedra, and faces with sixteen equivalent MgLa5Mg7 cuboctahedra. Both La–La bond lengths are 3.38 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent La atoms to form distorted MgLa5Mg7 cuboctahedra that share corners with nine equivalent MgLa5Mg7 cuboctahedra, corners with nine equivalent LaLa2Mg10 cuboctahedra, edges with four equivalent LaLa2Mg10 cuboctahedra, edges with fourteen equivalent MgLa5Mg7 cuboctahedra, faces with seven equivalent LaLa2Mg10 cuboctahedra, and faces with thirteen equivalent MgLa5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.37–3.46 Å. There are a spread of Mg–La bond distances ranging from 3.36–3.60 Å. La is bonded to ten equivalent Mg and two equivalent La atoms to form distorted LaLa2Mg10 cuboctahedra that share corners with eighteen equivalent MgLa5Mg7 cuboctahedra, edges with eight equivalent MgLa5Mg7 cuboctahedra, edges with ten equivalent LaLa2Mg10 cuboctahedra, faces with six equivalent LaLa2Mg10 cuboctahedra, and faces with fourteen equivalent MgLa5Mg7 cuboctahedra. Both La–La bond lengths are 3.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMg2 by Materials Project

Mg2La crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent La atoms to form distorted MgLa6Mg6 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve MgLa6Mg6 cuboctahedra, edges with seven equivalent LaLa2Mg10 cuboctahedra, edges with eleven equivalent MgLa4Mg8 cuboctahedra, faces with six equivalent LaLa2Mg10 cuboctahedra, and faces with fourteen MgLa6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.38–3.48 Å. All Mg–La bond lengths are 3.43 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent La atoms to form distorted MgLa4Mg8 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve MgLa6Mg6 cuboctahedra, edges with three equivalent LaLa2Mg10 cuboctahedra, edges with fifteen MgLa6Mg6 cuboctahedra, faces with eight equivalent LaLa2Mg10 cuboctahedra, and faces with twelve MgLa6Mg6 cuboctahedra. There are two shorter (3.39 Å) and four longer (3.47 Å) Mg–Mg bond lengths. There are two shorter (3.45 Å) and two longer (3.50 Å) Mg–La bond lengths. La is bonded to ten Mg and two equivalent La atoms to form LaLa2Mg10 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve MgLa6Mg6 cuboctahedra, edges with eight equivalent LaLa2Mg10 cuboctahedra, edges with ten MgLa6Mg6 cuboctahedra, faces with six equivalent LaLa2Mg10 cuboctahedra, and faces with fourteen MgLa6Mg6 cuboctahedra. Both La–La bond lengths are 3.39 Å.

36 MATERIALS SCIENCE↗