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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmNi2Sn by Materials Project

TmNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Tm–Ni bond lengths are 2.79 Å. All Tm–Sn bond lengths are 3.22 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.79 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNiSn2 by Materials Project

TmNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Tm–Ni bond distances ranging from 3.25–3.50 Å. There are a spread of Tm–Sn bond distances ranging from 3.08–3.17 Å. In the second Tm site, Tm is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Tm–Ni bond lengths are 3.02 Å. There are a spread of Tm–Sn bond distances ranging from 3.13–3.49 Å. In the third Tm site, Tm is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.12 Å) and two longer (3.19 Å) Tm–Ni bond lengths. There are a spread of Tm–Sn bond distances ranging from 3.11–3.56 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Tm and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.74 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Tm and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.48–2.78 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to four Tm and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Tm, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Tm and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Tm and two Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Tm and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Tm, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Tm and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNiSn4 by Materials Project

TmNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.20–3.42 Å. Ni is bonded in a distorted body-centered cubic geometry to one Ni and eight Sn atoms. The Ni–Ni bond length is 2.86 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.79 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Ni, and five Sn atoms. There are one shorter (3.06 Å) and four longer (3.15 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Tm and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.98 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Ni, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Ni2Sn by Materials Project

Tm2Ni2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.80 Å) and four longer (2.85 Å) Tm–Ni bond lengths. All Tm–Sn bond lengths are 3.25 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tm, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.49 Å. Both Ni–Sn bond lengths are 2.89 Å. Sn is bonded to eight equivalent Tm and four equivalent Ni atoms to form a mixture of corner and face-sharing SnTm8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNiSn by Materials Project

TmNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Tm–Ni bond distances ranging from 3.01–3.28 Å. There are a spread of Tm–Sn bond distances ranging from 3.09–3.19 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.57–2.73 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2NiSn6 by Materials Project

Tm2NiSn6 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.16–3.44 Å. Ni is bonded in a body-centered cubic geometry to eight Sn atoms. All Ni–Sn bond lengths are 2.71 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm and two equivalent Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Tm and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å.

36 MATERIALS SCIENCE↗