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Materials Data on ScGa by Materials Project

ScGa crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are five shorter (2.87 Å) and two longer (3.03 Å) Sc–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to seven equivalent Sc and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.58 Å.

36 MATERIALS SCIENCE↗

Materials Data on ScGa2 by Materials Project

ScGa2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten equivalent Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.95–3.02 Å. Ga is bonded in a 9-coordinate geometry to five equivalent Sc and four equivalent Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.53–2.70 Å.

36 MATERIALS SCIENCE↗

Materials Data on ScGa2 by Materials Project

ScGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.83–3.00 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.06 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the third Ga site, Ga is bonded to six equivalent Sc and six Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaSc6Ga6 cuboctahedra. Both Ga–Ga bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗

Materials Data on ScGa3 by Materials Project

ScGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Ga atoms to form ScGa12 cuboctahedra that share corners with twelve equivalent ScGa12 cuboctahedra, edges with twenty-four equivalent GaSc4Ga8 cuboctahedra, faces with six equivalent ScGa12 cuboctahedra, and faces with twelve equivalent GaSc4Ga8 cuboctahedra. All Sc–Ga bond lengths are 2.91 Å. Ga is bonded to four equivalent Sc and eight equivalent Ga atoms to form distorted GaSc4Ga8 cuboctahedra that share corners with twelve equivalent GaSc4Ga8 cuboctahedra, edges with eight equivalent ScGa12 cuboctahedra, edges with sixteen equivalent GaSc4Ga8 cuboctahedra, faces with four equivalent ScGa12 cuboctahedra, and faces with fourteen equivalent GaSc4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.91 Å.

36 MATERIALS SCIENCE↗

Materials Data on Sc5Ga3 by Materials Project

Sc5Ga3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.84–2.97 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.84–3.39 Å. In the third Sc site, Sc is bonded in a 4-coordinate geometry to five Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.84–3.52 Å. In the fourth Sc site, Sc is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.83–2.95 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to nine Sc and one Ga atom. The Ga–Ga bond length is 2.90 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Sc atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sc11Ga10 by Materials Project

Sc11Ga10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 4-coordinate geometry to nine Ga atoms. There are a spread of Sc–Ga bond distances ranging from 3.06–3.44 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.72–3.22 Å. In the third Sc site, Sc is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.74–2.98 Å. In the fourth Sc site, Sc is bonded to seven Ga atoms to form a mixture of distorted face, edge, and corner-sharing ScGa7 pentagonal bipyramids. There are a spread of Sc–Ga bond distances ranging from 2.82–3.11 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to eight Sc and two Ga atoms. There are one shorter (2.60 Å) and one longer (2.96 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Sc atoms. In the third Ga site, Ga is bonded in a 11-coordinate geometry to seven Sc and four Ga atoms. Both Ga–Ga bond lengths are 2.63 Å. In the fourth Ga site, Ga is bonded in a 8-coordinate geometry to eight Sc atoms. In the fifth Ga site, Ga is bonded in a 6-coordinate geometry to eight Sc and one Ga atom. The Ga–Ga bond length is 2.78 Å.

36 MATERIALS SCIENCE↗