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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd5In11Ni6 by Materials Project

Nd5Ni6In11 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 1-coordinate geometry to three Ni and ten In atoms. There are one shorter (2.88 Å) and two longer (3.20 Å) Nd–Ni bond lengths. There are a spread of Nd–In bond distances ranging from 3.24–3.54 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to eight equivalent Ni and ten In atoms. All Nd–Ni bond lengths are 3.23 Å. There are a spread of Nd–In bond distances ranging from 3.29–3.64 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.75 Å. There are a spread of Ni–In bond distances ranging from 2.60–2.73 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Nd, one Ni, and five In atoms. The Ni–Ni bond length is 2.44 Å. There are a spread of Ni–In bond distances ranging from 2.61–2.83 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to five Nd, two equivalent Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.22 Å. In the second In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Ni, and six In atoms. There are two shorter (3.05 Å) and two longer (3.23 Å) In–In bond lengths. In the third In site, In is bonded to five Nd, five Ni, and two equivalent In atoms to form a mixture of distorted face and corner-sharing InNd5In2Ni5 cuboctahedra. In the fourth In site, In is bonded in a distorted water-like geometry to four Nd, two equivalent Ni, and six In atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to four equivalent Nd, four equivalent Ni, and four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInNi by Materials Project

NdNiIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are four shorter (3.02 Å) and one longer (3.12 Å) Nd–Ni bond lengths. There are two shorter (3.23 Å) and four longer (3.37 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are a spread of Nd–Ni bond distances ranging from 3.01–3.13 Å. There are a spread of Nd–In bond distances ranging from 3.23–3.38 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three Nd and six In atoms. All Ni–In bond lengths are 2.72 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Nd and three In atoms. All Ni–In bond lengths are 2.89 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to six Nd and four Ni atoms. In the second In site, In is bonded in a 12-coordinate geometry to six Nd and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInNi4 by Materials Project

NdNi4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent In atoms. All Nd–Ni bond lengths are 2.97 Å. All Nd–In bond lengths are 3.10 Å. Ni is bonded to three equivalent Nd, six equivalent Ni, and three equivalent In atoms to form a mixture of edge, corner, and face-sharing NiNd3In3Ni6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.56 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.96 Å. In is bonded in a 4-coordinate geometry to four equivalent Nd and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2InNi2 by Materials Project

Nd2Ni2In crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.92 Å) and four longer (2.97 Å) Nd–Ni bond lengths. There are two shorter (3.35 Å) and two longer (3.42 Å) Nd–In bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.53 Å. There are one shorter (2.95 Å) and one longer (3.15 Å) Ni–In bond lengths. In is bonded to eight equivalent Nd and four equivalent Ni atoms to form a mixture of face and corner-sharing InNd8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdIn4Ni by Materials Project

NdNiIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen In atoms. Both Nd–Ni bond lengths are 3.44 Å. There are a spread of Nd–In bond distances ranging from 3.24–3.70 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.55–2.77 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Nd and six In atoms. There are four shorter (3.15 Å) and two longer (3.18 Å) In–In bond lengths. In the second In site, In is bonded in a 2-coordinate geometry to three equivalent Nd, one Ni, and four equivalent In atoms. In the third In site, In is bonded in a 12-coordinate geometry to three equivalent Nd, three equivalent Ni, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2InNi2 by Materials Project

Nd2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.92 Å) and four longer (2.95 Å) Nd–Ni bond lengths. All Nd–In bond lengths are 3.38 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.52 Å. Both Ni–In bond lengths are 3.04 Å. In is bonded to eight equivalent Nd and four equivalent Ni atoms to form a mixture of face and corner-sharing InNd8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗