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DOE OSTI2020

Materials Data on LaMg2Ni by Materials Project

LaMg2Ni crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni atoms. There are two shorter (2.76 Å) and one longer (2.84 Å) Mg–Ni bond lengths. La is bonded in a 3-coordinate geometry to three equivalent Ni atoms. There are one shorter (2.91 Å) and two longer (3.02 Å) La–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMgNi4 by Materials Project

LaMgNi4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Ni atoms. All Mg–La bond lengths are 3.08 Å. All Mg–Ni bond lengths are 2.95 Å. La is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All La–Ni bond lengths are 2.96 Å. Ni is bonded to three equivalent Mg, three equivalent La, and six equivalent Ni atoms to form a mixture of edge, corner, and face-sharing NiLa3Mg3Ni6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.55 Å) Ni–Ni bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2MgNi2 by Materials Project

La2Ni2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded to eight equivalent La and four equivalent Ni atoms to form a mixture of distorted corner and face-sharing MgLa8Ni4 cuboctahedra. All Mg–La bond lengths are 3.43 Å. All Mg–Ni bond lengths are 3.03 Å. La is bonded in a 6-coordinate geometry to four equivalent Mg and six equivalent Ni atoms. There are two shorter (2.95 Å) and four longer (3.00 Å) La–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent La, and one Ni atom. The Ni–Ni bond length is 2.63 Å.

36 MATERIALS SCIENCE↗