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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YIn2Ni by Materials Project

YNiIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent In atoms. There are one shorter (2.95 Å) and two longer (3.16 Å) Y–Ni bond lengths. There are a spread of Y–In bond distances ranging from 3.19–3.44 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent In atoms. There are two shorter (2.68 Å) and four longer (2.73 Å) Ni–In bond lengths. In is bonded in a 12-coordinate geometry to five equivalent Y and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2InNi2 by Materials Project

Y2Ni2In crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.84 Å) and two longer (2.95 Å) Y–Ni bond lengths. All Y–In bond lengths are 3.33 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Y, two equivalent Ni, and one In atom. Both Ni–Ni bond lengths are 2.45 Å. The Ni–In bond length is 2.84 Å. In is bonded in a distorted q6 geometry to eight equivalent Y and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YInNi by Materials Project

YNiIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Ni and six equivalent In atoms. There are four shorter (2.95 Å) and one longer (3.09 Å) Y–Ni bond lengths. There are two shorter (3.14 Å) and four longer (3.29 Å) Y–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 Y and six equivalent In atoms. All Ni–In bond lengths are 2.68 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent In atoms. All Ni–In bond lengths are 2.85 Å. In is bonded in a 10-coordinate geometry to six equivalent Y and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YIn2Ni9 by Materials Project

YNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.00 Å) and eight longer (3.26 Å) Y–Ni bond lengths. All Y–In bond lengths are 3.25 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Y, seven Ni, and three equivalent In atoms to form distorted NiY2In3Ni7 cuboctahedra that share corners with eighteen NiY2In3Ni7 cuboctahedra, edges with nine NiY2In2Ni8 cuboctahedra, and faces with twenty NiY2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.38–2.52 Å. There are one shorter (2.61 Å) and two longer (2.78 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent Y, eight Ni, and two equivalent In atoms to form a mixture of distorted edge, corner, and face-sharing NiY2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.66 Å. Both Ni–In bond lengths are 2.82 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiY2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiY2In3Ni7 cuboctahedra. All Ni–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to two equivalent Y, twelve Ni, and one In atom. The In–In bond length is 2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y11In9Ni4 by Materials Project

Y11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Y–Ni bond lengths are 2.77 Å. There are a spread of Y–In bond distances ranging from 3.15–3.45 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Y–Ni bond lengths are 2.90 Å. There are two shorter (3.29 Å) and four longer (3.39 Å) Y–In bond lengths. In the third Y site, Y is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.27 Å) and four longer (3.44 Å) Y–In bond lengths. In the fourth Y site, Y is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Y–In bond lengths are 3.21 Å. In the fifth Y site, Y is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Y–Ni bond lengths are 2.91 Å. There are two shorter (3.27 Å) and four longer (3.38 Å) Y–In bond lengths. Ni is bonded in a 6-coordinate geometry to six Y and three In atoms. There are a spread of Ni–In bond distances ranging from 2.96–3.12 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Y, one Ni, and one In atom. The In–In bond length is 3.04 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Y, one Ni, and one In atom. The In–In bond length is 3.12 Å. In the third In site, In is bonded to eight Y and four equivalent Ni atoms to form face-sharing InY8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗