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Materials Data on ThGa2 by Materials Project

ThGa2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.47 Å.

36 MATERIALS SCIENCE↗

Materials Data on ThGa2 by Materials Project

ThGa2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. All Ga–Th bond lengths are 3.26 Å.

36 MATERIALS SCIENCE↗

Materials Data on ThGa by Materials Project

ThGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Th–Ga bond distances ranging from 3.13–3.31 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Th–Ga bond distances ranging from 3.12–3.31 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven Th and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Th and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on Th3Ga2 by Materials Project

Th3Ga2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a square co-planar geometry to four equivalent Ga atoms. All Th–Ga bond lengths are 3.20 Å. In the second Th site, Th is bonded in a 6-coordinate geometry to six equivalent Ga atoms. There are two shorter (3.14 Å) and four longer (3.20 Å) Th–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to eight Th and one Ga atom. The Ga–Ga bond length is 2.69 Å.

36 MATERIALS SCIENCE↗

Materials Data on Th2Ga by Materials Project

Th2Ga is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Th–Ga bond lengths are 3.19 Å. Ga is bonded in a 10-coordinate geometry to eight equivalent Th and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.95 Å.

36 MATERIALS SCIENCE↗

Materials Data on ThGa3 by Materials Project

ThGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ga atoms to form a mixture of distorted face and corner-sharing ThGa12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.25 Å) Th–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Th and six equivalent Ga atoms. There are two shorter (2.78 Å) and four longer (2.81 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗