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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmGa2Ni by Materials Project

TmNiGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Ga atoms. There are one shorter (2.82 Å) and two longer (2.98 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.96–3.23 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Ga atoms. There are two shorter (2.49 Å) and four longer (2.53 Å) Ni–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to five equivalent Tm, three equivalent Ni, and two equivalent Ga atoms. There are one shorter (2.62 Å) and one longer (2.91 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm4Ga21Ni10 by Materials Project

Tm4Ni10Ga21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are two shorter (3.03 Å) and two longer (3.08 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.86–3.43 Å. In the second Tm site, Tm is bonded in a 9-coordinate geometry to four Ni and ten Ga atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.91–3.21 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tm, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.77 Å. There are a spread of Ni–Ga bond distances ranging from 2.47–2.56 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.60 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tm, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.41–2.56 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tm and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.82 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.38–2.59 Å. There are eleven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Tm, three Ni, and two Ga atoms. There are one shorter (2.61 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tm, four Ni, and five Ga atoms. There are two shorter (2.86 Å) and three longer (2.89 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tm, three equivalent Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–3.04 Å. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Tm, three Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.91 Å. In the fifth Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Tm, three Ni, and two Ga atoms. There are one shorter (2.70 Å) and one longer (2.83 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to three Tm, three Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to one Tm, four Ni, and five Ga atoms. There are two shorter (2.76 Å) and one longer (2.84 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to one Tm, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.92 Å. In the ninth Ga site, Ga is bonded in a 5-coordinate geometry to two Tm, five Ni, and two Ga atoms. In the tenth Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ni and eight Ga atoms. In the eleventh Ga site, Ga is bonded in a 12-coordinate geometry to three Tm, four Ni, and five Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGaNi2 by Materials Project

TmNi2Ga 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 Ga atoms. All Tm–Ni bond lengths are 2.69 Å. All Tm–Ga bond lengths are 3.11 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.69 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Ga5Ni by Materials Project

Tm3NiGa5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 5-coordinate geometry to one Ni and ten Ga atoms. The Tm–Ni bond length is 2.79 Å. There are four shorter (2.94 Å) and six longer (3.20 Å) Tm–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Tm, two equivalent Ni, and four Ga atoms to form a mixture of distorted face, edge, and corner-sharing GaTm6Ga4Ni2 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Ga3Ni by Materials Project

Tm2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. All Tm–Ni bond lengths are 3.16 Å. There are a spread of Tm–Ga bond distances ranging from 2.96–3.23 Å. In the second Tm site, Tm is bonded in a 11-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (2.96 Å) and two longer (3.01 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.97–3.35 Å. Ni is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.45–2.67 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, one Ni, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.65 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Tm, one Ni, and three Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGa4Ni by Materials Project

TmNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Tm–Ni bond lengths are 3.11 Å. There are a spread of Tm–Ga bond distances ranging from 2.88–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.51 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Tm and six Ga atoms. There are two shorter (2.82 Å) and four longer (2.84 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Tm, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tm, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.92 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGaNi by Materials Project

TmNiGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to six equivalent Ni and six equivalent Ga atoms. There are a spread of Tm–Ni bond distances ranging from 2.79–3.23 Å. There are a spread of Tm–Ga bond distances ranging from 2.98–3.07 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.63 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(GaNi3)2 by Materials Project

Tm3(Ni3Ga)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Ga atoms. There are four shorter (2.73 Å) and four longer (3.01 Å) Tm–Ni bond lengths. All Tm–Ga bond lengths are 3.14 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, six equivalent Ni, and two equivalent Ga atoms. There are four shorter (2.55 Å) and two longer (2.84 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.46 Å. Ga is bonded to six equivalent Tm and six equivalent Ni atoms to form a mixture of face and corner-sharing GaTm6Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗