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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd(NiSn)2 by Materials Project

Nd(NiSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight Ni and eight Sn atoms. There are four shorter (3.31 Å) and four longer (3.43 Å) Nd–Ni bond lengths. There are four shorter (3.37 Å) and four longer (3.44 Å) Nd–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Nd and five Sn atoms. There are one shorter (2.51 Å) and four longer (2.58 Å) Ni–Sn bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.57 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Nd and five Ni atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Nd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdNiSn by Materials Project

NdNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Nd–Ni bond distances ranging from 3.07–3.45 Å. There are a spread of Nd–Sn bond distances ranging from 3.20–3.31 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Nd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd12Ni6Sn by Materials Project

Nd12Ni6Sn crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to four equivalent Ni and one Sn atom. There are a spread of Nd–Ni bond distances ranging from 2.75–3.67 Å. The Nd–Sn bond length is 3.61 Å. Ni is bonded in a 2-coordinate geometry to eight equivalent Nd and one Ni atom. The Ni–Ni bond length is 2.46 Å. Sn is bonded in a cuboctahedral geometry to twelve equivalent Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(NiSn)2 by Materials Project

Nd(NiSn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Nd–Ni bond lengths are 3.43 Å. All Nd–Sn bond lengths are 3.43 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.52 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Ni2Sn by Materials Project

Nd2Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are four shorter (3.03 Å) and two longer (3.04 Å) Nd–Ni bond lengths. There are two shorter (3.32 Å) and two longer (3.39 Å) Nd–Sn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.43 Å. Both Ni–Sn bond lengths are 2.76 Å. Sn is bonded to eight equivalent Nd and four equivalent Ni atoms to form a mixture of edge and face-sharing SnNd8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗