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Materials Data on La3Mg by Materials Project

MgLa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent La atoms to form MgLa12 cuboctahedra that share corners with six equivalent MgLa12 cuboctahedra, corners with twelve equivalent LaLa8Mg4 cuboctahedra, edges with eighteen equivalent LaLa8Mg4 cuboctahedra, faces with eight equivalent MgLa12 cuboctahedra, and faces with twelve equivalent LaLa8Mg4 cuboctahedra. There are six shorter (3.51 Å) and six longer (3.67 Å) Mg–La bond lengths. La is bonded to four equivalent Mg and eight equivalent La atoms to form distorted LaLa8Mg4 cuboctahedra that share corners with four equivalent MgLa12 cuboctahedra, corners with fourteen equivalent LaLa8Mg4 cuboctahedra, edges with six equivalent MgLa12 cuboctahedra, edges with twelve equivalent LaLa8Mg4 cuboctahedra, faces with four equivalent MgLa12 cuboctahedra, and faces with sixteen equivalent LaLa8Mg4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.47–3.86 Å.

36 MATERIALS SCIENCE↗

Materials Data on La3Mg by Materials Project

MgLa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve La atoms to form MgLa12 cuboctahedra that share corners with four equivalent MgLa12 cuboctahedra, corners with eight equivalent LaLa8Mg4 cuboctahedra, edges with eight equivalent MgLa12 cuboctahedra, edges with sixteen equivalent LaLa8Mg4 cuboctahedra, faces with four equivalent MgLa12 cuboctahedra, and faces with fourteen LaLa8Mg4 cuboctahedra. There are four shorter (3.56 Å) and eight longer (3.64 Å) Mg–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Mg and eight equivalent La atoms to form LaLa8Mg4 cuboctahedra that share corners with four equivalent LaLa8Mg4 cuboctahedra, corners with eight equivalent MgLa12 cuboctahedra, edges with twenty-four LaLa8Mg4 cuboctahedra, faces with six equivalent MgLa12 cuboctahedra, and faces with twelve LaLa8Mg4 cuboctahedra. All La–La bond lengths are 3.64 Å. In the second La site, La is bonded to four equivalent Mg and eight La atoms to form LaLa8Mg4 cuboctahedra that share corners with twelve equivalent LaLa8Mg4 cuboctahedra, edges with eight equivalent MgLa12 cuboctahedra, edges with sixteen LaLa8Mg4 cuboctahedra, faces with four equivalent MgLa12 cuboctahedra, and faces with fourteen LaLa8Mg4 cuboctahedra. All La–La bond lengths are 3.56 Å.

36 MATERIALS SCIENCE↗

Materials Data on La3Mg by Materials Project

MgLa3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.45–3.77 Å. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Mg and eight La atoms to form a mixture of distorted edge, corner, and face-sharing LaLa8Mg4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.53–3.73 Å. In the second La site, La is bonded to three equivalent Mg and nine La atoms to form distorted LaLa9Mg3 cuboctahedra that share corners with eighteen equivalent LaLa9Mg3 cuboctahedra, edges with twelve LaLa8Mg4 cuboctahedra, and faces with fourteen LaLa8Mg4 cuboctahedra. There are four shorter (3.66 Å) and two longer (3.71 Å) La–La bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on La3Mg by Materials Project

MgLa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.50–3.70 Å. There are three inequivalent La sites. In the first La site, La is bonded to two equivalent Mg and ten La atoms to form a mixture of edge, face, and corner-sharing LaLa10Mg2 cuboctahedra. There are a spread of La–La bond distances ranging from 3.42–3.79 Å. In the second La site, La is bonded to four equivalent Mg and eight La atoms to form a mixture of distorted edge, face, and corner-sharing LaLa8Mg4 cuboctahedra. There are two shorter (3.70 Å) and two longer (3.79 Å) La–La bond lengths. In the third La site, La is bonded to four equivalent Mg and eight La atoms to form distorted LaLa8Mg4 cuboctahedra that share corners with ten equivalent LaLa8Mg4 cuboctahedra, edges with fourteen LaLa10Mg2 cuboctahedra, and faces with sixteen LaLa10Mg2 cuboctahedra. Both La–La bond lengths are 3.70 Å.

36 MATERIALS SCIENCE↗

Materials Data on La3Mg by Materials Project

MgLa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent La atoms to form MgLa12 cuboctahedra that share corners with twelve equivalent MgLa12 cuboctahedra, edges with twenty-four equivalent LaLa8Mg4 cuboctahedra, faces with six equivalent MgLa12 cuboctahedra, and faces with twelve equivalent LaLa8Mg4 cuboctahedra. All Mg–La bond lengths are 3.62 Å. La is bonded to four equivalent Mg and eight equivalent La atoms to form LaLa8Mg4 cuboctahedra that share corners with twelve equivalent LaLa8Mg4 cuboctahedra, edges with eight equivalent MgLa12 cuboctahedra, edges with sixteen equivalent LaLa8Mg4 cuboctahedra, faces with four equivalent MgLa12 cuboctahedra, and faces with fourteen equivalent LaLa8Mg4 cuboctahedra. All La–La bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗