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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaIn4Ni by Materials Project

LaNiIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen In atoms. Both La–Ni bond lengths are 3.53 Å. There are a spread of La–In bond distances ranging from 3.32–3.71 Å. Ni is bonded in a 9-coordinate geometry to two equivalent La and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.55–2.79 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent La and six In atoms. There are four shorter (3.20 Å) and two longer (3.24 Å) In–In bond lengths. In the second In site, In is bonded in a 2-coordinate geometry to three equivalent La, one Ni, and four equivalent In atoms. In the third In site, In is bonded in a 12-coordinate geometry to three equivalent La, three equivalent Ni, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaInNi2 by Materials Project

LaNi2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Ni and six equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.72–3.13 Å. There are four shorter (3.39 Å) and two longer (3.46 Å) La–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La, four equivalent Ni, and two equivalent In atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–In bond lengths are 2.66 Å. In the second Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing NiLa4In2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.64 Å. Both Ni–In bond lengths are 2.78 Å. In is bonded in a 12-coordinate geometry to six equivalent La and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(In2Ni)3 by Materials Project

La(NiIn2)3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to two equivalent Ni and thirteen In atoms. Both La–Ni bond lengths are 3.35 Å. There are a spread of La–In bond distances ranging from 3.33–3.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent La and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.58–2.75 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to one Ni and seven In atoms. The Ni–Ni bond length is 2.63 Å. There are a spread of Ni–In bond distances ranging from 2.59–2.73 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to two equivalent La, three equivalent Ni, and one In atom. The In–In bond length is 3.12 Å. In the second In site, In is bonded in a 12-coordinate geometry to three equivalent La, three equivalent Ni, and six In atoms. There are a spread of In–In bond distances ranging from 3.04–3.33 Å. In the third In site, In is bonded in a 1-coordinate geometry to two equivalent La, three Ni, and four equivalent In atoms. In the fourth In site, In is bonded in a 6-coordinate geometry to one La and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La11In9Ni4 by Materials Project

La11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All La–Ni bond lengths are 3.05 Å. There are two shorter (3.43 Å) and four longer (3.50 Å) La–In bond lengths. In the second La site, La is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All La–In bond lengths are 3.39 Å. In the third La site, La is bonded in a 2-coordinate geometry to two equivalent Ni and six In atoms. Both La–Ni bond lengths are 2.85 Å. There are a spread of La–In bond distances ranging from 3.30–3.67 Å. In the fourth La site, La is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.41 Å) and four longer (3.64 Å) La–In bond lengths. In the fifth La site, La is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All La–Ni bond lengths are 3.08 Å. There are two shorter (3.41 Å) and four longer (3.50 Å) La–In bond lengths. Ni is bonded in a 6-coordinate geometry to six La and three In atoms. There are a spread of Ni–In bond distances ranging from 3.01–3.30 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight La, one Ni, and one In atom. The In–In bond length is 3.06 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight La, one Ni, and one In atom. The In–In bond length is 3.18 Å. In the third In site, In is bonded to eight La and four equivalent Ni atoms to form face-sharing InLa8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaInNi5 by Materials Project

LaNi5In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a distorted hexagonal planar geometry to eighteen Ni and two In atoms. There are six shorter (2.86 Å) and twelve longer (3.20 Å) La–Ni bond lengths. Both La–In bond lengths are 3.28 Å. In the second La site, La is bonded in a 6-coordinate geometry to twelve Ni and six In atoms. There are six shorter (3.01 Å) and six longer (3.26 Å) La–Ni bond lengths. All La–In bond lengths are 3.32 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent La, three equivalent Ni, and four In atoms. All Ni–Ni bond lengths are 2.46 Å. There are one shorter (2.63 Å) and three longer (2.95 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La and nine Ni atoms. There are six shorter (2.48 Å) and three longer (2.86 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La and nine Ni atoms. All Ni–Ni bond lengths are 2.49 Å. In the fourth Ni site, Ni is bonded to three La, seven Ni, and two equivalent In atoms to form a mixture of face, edge, and corner-sharing NiLa3In2Ni7 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.49 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.77 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to four La and ten Ni atoms. All In–La bond lengths are 3.32 Å. There are a spread of In–Ni bond distances ranging from 2.63–2.95 Å. In the second In site, In is bonded in a 1-coordinate geometry to four La and ten Ni atoms. The In–La bond length is 3.28 Å. In the third In site, In is bonded in a 1-coordinate geometry to four La and ten Ni atoms. All In–Ni bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗