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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↗
DOE OSTI2020

Materials Data on Y12InNi6 by Materials Project

Y12Ni6In crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to four equivalent Ni and one In atom. There are a spread of Y–Ni bond distances ranging from 2.67–3.53 Å. The Y–In bond length is 3.48 Å. Ni is bonded in a 2-coordinate geometry to eight equivalent Y and one Ni atom. The Ni–Ni bond length is 2.38 Å. In is bonded in a cuboctahedral geometry to twelve equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2InNi2 by Materials Project

Y2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.85 Å) and four longer (2.90 Å) Y–Ni bond lengths. All Y–In bond lengths are 3.32 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Y, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.54 Å. Both Ni–In bond lengths are 2.97 Å. In is bonded to eight equivalent Y and four equivalent Ni atoms to form a mixture of corner and face-sharing InY8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4In20Ni11 by Materials Project

Y4Ni11In20 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to four Ni and ten In atoms. There are a spread of Y–Ni bond distances ranging from 3.18–3.38 Å. There are a spread of Y–In bond distances ranging from 3.16–3.45 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to four Ni and eleven In atoms. There are a spread of Y–Ni bond distances ranging from 3.14–3.35 Å. There are a spread of Y–In bond distances ranging from 3.14–3.71 Å. In the third Y site, Y is bonded in a 8-coordinate geometry to four Ni and eleven In atoms. There are a spread of Y–Ni bond distances ranging from 3.14–3.34 Å. There are a spread of Y–In bond distances ranging from 3.14–3.69 Å. In the fourth Y site, Y is bonded in a 8-coordinate geometry to four Ni and ten In atoms. There are a spread of Y–Ni bond distances ranging from 3.18–3.39 Å. There are a spread of Y–In bond distances ranging from 3.16–3.45 Å. There are eleven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.66–2.74 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.70–2.78 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Y and eight In atoms. There are a spread of Ni–In bond distances ranging from 2.69–3.13 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ni and seven In atoms. There are one shorter (2.61 Å) and one longer (2.62 Å) Ni–Ni bond lengths. There are a spread of Ni–In bond distances ranging from 2.63–2.78 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.66–2.79 Å. In the sixth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ni and seven In atoms. Both Ni–Ni bond lengths are 2.61 Å. There are a spread of Ni–In bond distances ranging from 2.63–2.78 Å. In the seventh Ni site, Ni is bonded to four Ni and eight In atoms to form distorted face-sharing NiIn8Ni4 cuboctahedra. There are a spread of Ni–In bond distances ranging from 2.67–3.12 Å. In the eighth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.70–2.78 Å. In the ninth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Y and eight In atoms. There are a spread of Ni–In bond distances ranging from 2.68–3.13 Å. In the tenth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.67–2.79 Å. In the eleventh Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.65–2.74 Å. There are twenty inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to three Y, three Ni, and three In atoms. There are a spread of In–In bond distances ranging from 2.97–3.11 Å. In the second In site, In is bonded in a 12-coordinate geometry to three Y, three Ni, and six In atoms. There are a spread of In–In bond distances ranging from 2.98–3.36 Å. In the third In site, In is bonded in a 12-coordinate geometry to two equivalent Y and four Ni atoms. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Y and four Ni atoms. In the fifth In site, In is bonded in a 6-coordinate geometry to two equivalent Y, four Ni, and one In atom. The In–In bond length is 3.06 Å. In the sixth In site, In is bonded in a 5-coordinate geometry to two Y, five Ni, and two In atoms. There are one shorter (3.16 Å) and one longer (3.18 Å) In–In bond lengths. In the seventh In site, In is bonded in a 4-coordinate geometry to one Y, four Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.02–3.13 Å. In the eighth In site, In is bonded in a 5-coordinate geometry to three Y, three Ni, and three In atoms. There are one shorter (3.09 Å) and one longer (3.11 Å) In–In bond lengths. In the ninth In site, In is bonded in a 5-coordinate geometry to one Y, five Ni, and two equivalent In atoms. In the tenth In site, In is bonded in a 6-coordinate geometry to two equivalent Y, four Ni, and one In atom. In the eleventh In site, In is bonded in a 3-coordinate geometry to one Y, four Ni, and six In atoms. There are a spread of In–In bond distances ranging from 2.95–3.16 Å. In the twelfth In site, In is bonded in a 3-coordinate geometry to one Y, four Ni, and six In atoms. There are a spread of In–In bond distances ranging from 3.02–3.13 Å. In the thirteenth In site, In is bonded in a 4-coordinate geometry to one Y, four Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.06–3.14 Å. In the fourteenth In site, In is bonded in a 12-coordinate geometry to three Y, four Ni, and five In atoms. In the fifteenth In site, In is bonded in a 12-coordinate geometry to three Y, four Ni, and five In atoms. There are one shorter (3.10 Å) and one longer (3.11 Å) In–In bond lengths. In the sixteenth In site, In is bonded in a 12-coordinate geometry to three Y, three Ni, and six In atoms. There are one shorter (3.34 Å) and one longer (3.35 Å) In–In bond lengths. In the seventeenth In site, In is bonded in a 12-coordinate geometry to three Y, four Ni, and five In atoms. The In–In bond length is 3.17 Å. In the eighteenth In site, In is bonded in a 5-coordinate geometry to one Y, five Ni, and two equivalent In atoms. In the nineteenth In site, In is bonded in a 12-coordinate geometry to three Y, four Ni, and five In atoms. In the twentieth In site, In is bonded in a 5-coordinate geometry to two Y, five Ni, and two In atoms.

36 MATERIALS SCIENCE↗