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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ni3Sn2 by Materials Project

Ni3Sn2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to six equivalent Ni and five Sn atoms. There are four shorter (2.65 Å) and two longer (2.72 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.50–2.61 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Sn atoms. There are one shorter (2.56 Å) and one longer (2.66 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.61–2.91 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to eight Ni and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(Ni3Sn2)2 by Materials Project

Sm3(Ni3Sn2)2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six Ni and six Sn atoms. There are a spread of Sm–Ni bond distances ranging from 3.01–3.52 Å. There are a spread of Sm–Sn bond distances ranging from 3.20–3.33 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to four equivalent Sm, three equivalent Ni, and four Sn atoms. There are two shorter (2.59 Å) and one longer (2.67 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.58–2.74 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to two equivalent Sm, five Ni, and three equivalent Sn atoms. Both Ni–Ni bond lengths are 2.56 Å. There are one shorter (2.54 Å) and two longer (2.57 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted q6 geometry to four equivalent Sm and six Ni atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗