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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2InNi2 by Materials Project

La2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.93 Å) and four longer (2.99 Å) La–Ni bond lengths. All La–In bond lengths are 3.42 Å. Ni is bonded in a 9-coordinate geometry to six equivalent La, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.65 Å. Both Ni–In bond lengths are 3.06 Å. In is bonded to eight equivalent La and four equivalent Ni atoms to form a mixture of face and corner-sharing InLa8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2InNi2 by Materials Project

La2Ni2In crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.94 Å) and two longer (3.07 Å) La–Ni bond lengths. There are two shorter (3.40 Å) and two longer (3.46 Å) La–In bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent La, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.65 Å. There are one shorter (2.87 Å) and one longer (3.27 Å) Ni–In bond lengths. In is bonded to eight equivalent La and four equivalent Ni atoms to form a mixture of corner and face-sharing InLa8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2InNi2 by Materials Project

La2Ni2In crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.04 Å. There are two shorter (3.38 Å) and two longer (3.39 Å) La–In bond lengths. In the second La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.97–3.07 Å. All La–In bond lengths are 3.49 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six La, two Ni, and one In atom. There are one shorter (2.47 Å) and one longer (2.54 Å) Ni–Ni bond lengths. The Ni–In bond length is 2.94 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six La, one Ni, and two equivalent In atoms. There are one shorter (3.04 Å) and one longer (3.09 Å) Ni–In bond lengths. In is bonded in a distorted q6 geometry to eight La and three Ni atoms.

36 MATERIALS SCIENCE↗