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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(NiSn)2 by Materials Project

Sm(NiSn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Sn atoms. All Sm–Ni bond lengths are 3.42 Å. All Sm–Sn bond lengths are 3.42 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.51 Å. Sn is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Ni, and one Sn atom. The Sn–Sn bond length is 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2NiSn4 by Materials Project

Sm2NiSn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Ni and ten Sn atoms. There are two shorter (3.52 Å) and one longer (3.59 Å) Sm–Ni bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.28–3.71 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to two equivalent Ni and ten Sn atoms. Both Sm–Ni bond lengths are 3.36 Å. There are a spread of Sm–Sn bond distances ranging from 3.25–3.70 Å. Ni is bonded in a 10-coordinate geometry to five Sm and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.63 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four Sm, one Ni, and four Sn atoms. There are two shorter (3.01 Å) and two longer (3.26 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 7-coordinate geometry to four Sm, three equivalent Ni, and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six Sm and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.99 Å. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six Sm, one Ni, and two equivalent Sn 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↗
DOE OSTI2020

Materials Data on Sm9Ni24Sn49 by Materials Project

Sm9Ni24Sn49 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are a spread of Sm–Ni bond distances ranging from 3.28–3.32 Å. There are a spread of Sm–Sn bond distances ranging from 3.30–3.61 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are four shorter (3.29 Å) and two longer (3.30 Å) Sm–Ni bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.30–3.64 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are four shorter (3.29 Å) and two longer (3.30 Å) Sm–Ni bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.32–3.62 Å. In the fourth Sm site, Sm is bonded in a cuboctahedral geometry to twelve Sn atoms. There are a spread of Sm–Sn bond distances ranging from 3.40–3.44 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.67 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.67 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.70 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.68 Å. In the fifth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.70 Å. In the sixth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.68 Å. In the seventh Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.66 Å. In the eighth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.67 Å. There are seventeen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.30 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to two Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.31 Å. In the fifth Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.28 Å. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the seventh Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.33 Å. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the ninth Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the tenth Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the eleventh Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the twelfth Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the thirteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the fourteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the fifteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the sixteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the seventeenth Sn site, Sn is bonded in a cuboctahedral geometry to twelve Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmNiSn by Materials Project

SmNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. There are four shorter (3.00 Å) and one longer (3.01 Å) Sm–Ni bond lengths. There are two shorter (3.20 Å) and four longer (3.30 Å) Sm–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.81 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Ni–Sn bond lengths are 2.73 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four Ni atoms.

36 MATERIALS SCIENCE↗