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DOE OSTI2020

Materials Data on TmGa3 by Materials Project

TmGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Ga atoms to form TmGa12 cuboctahedra that share corners with twelve equivalent TmGa12 cuboctahedra, edges with twenty-four equivalent GaTm4Ga8 cuboctahedra, faces with six equivalent TmGa12 cuboctahedra, and faces with twelve equivalent GaTm4Ga8 cuboctahedra. All Tm–Ga bond lengths are 3.00 Å. Ga is bonded to four equivalent Tm and eight equivalent Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with twelve equivalent GaTm4Ga8 cuboctahedra, edges with eight equivalent TmGa12 cuboctahedra, edges with sixteen equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with fourteen equivalent GaTm4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.00 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmGa2 by Materials Project

TmGa2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten equivalent Ga atoms. There are a spread of Tm–Ga bond distances ranging from 3.07–3.10 Å. Ga is bonded in a 10-coordinate geometry to five equivalent Tm and four equivalent Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.75 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Tm3Ga5 by Materials Project

Tm3Ga5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Tm–Ga bond distances ranging from 2.82–3.26 Å. In the second Tm site, Tm is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Tm–Ga bond distances ranging from 2.94–3.30 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.88 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to five Tm and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–3.01 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Tm and four Ga atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Tm and three Ga atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmGa by Materials Project

TmGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Tm–Ga bond distances ranging from 3.01–3.17 Å. Ga is bonded in a 9-coordinate geometry to seven equivalent Tm and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.61 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Tm5Ga3 by Materials Project

Tm5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Tm–Ga bond lengths are 3.06 Å. In the second Tm site, Tm is bonded in a 3-coordinate geometry to five equivalent Ga atoms. There are a spread of Tm–Ga bond distances ranging from 2.95–3.50 Å. Ga is bonded in a 9-coordinate geometry to nine Tm atoms.

36 MATERIALS SCIENCE↗