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Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to twelve equivalent Ga atoms. There are six shorter (2.87 Å) and six longer (3.29 Å) Mg–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Mg and four equivalent Ga atoms. There are three shorter (2.61 Å) and one longer (2.81 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ga atoms to form distorted MgMg3Ga9 cuboctahedra that share corners with nine equivalent MgMg3Ga9 cuboctahedra, corners with nine equivalent GaMg6Ga6 cuboctahedra, edges with six equivalent MgMg3Ga9 cuboctahedra, edges with twelve equivalent GaMg4Ga8 cuboctahedra, faces with five equivalent MgMg3Ga9 cuboctahedra, and faces with fifteen GaMg4Ga8 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. There are six shorter (3.00 Å) and three longer (3.03 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen equivalent GaMg4Ga8 cuboctahedra, edges with eight equivalent MgMg3Ga9 cuboctahedra, edges with ten GaMg4Ga8 cuboctahedra, faces with eight equivalent MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are two shorter (3.00 Å) and six longer (3.03 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to six equivalent Mg and six equivalent Ga atoms to form distorted GaMg6Ga6 cuboctahedra that share corners with eighteen equivalent MgMg3Ga9 cuboctahedra, edges with eighteen GaMg4Ga8 cuboctahedra, faces with six equivalent MgMg3Ga9 cuboctahedra, and faces with fourteen GaMg4Ga8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.86–3.10 Å. Ga is bonded in a 2-coordinate geometry to five equivalent Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to five equivalent Mg and seven Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg5Ga7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.92–3.19 Å. There are a spread of Mg–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.88–3.01 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and six Ga atoms. The Ga–Ga bond length is 2.85 Å.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.90–3.02 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.80 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 is Titanium Disilicide structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.82–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–3.11 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Mg and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–3.11 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to five equivalent Mg and five Ga atoms. There are one shorter (3.01 Å) and one longer (3.11 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form distorted MgMg6Ga6 cuboctahedra that share corners with six equivalent MgMg6Ga6 cuboctahedra, corners with twelve equivalent GaMg3Ga9 cuboctahedra, edges with six equivalent MgMg6Ga6 cuboctahedra, edges with twelve equivalent GaMg3Ga9 cuboctahedra, faces with six equivalent MgMg6Ga6 cuboctahedra, and faces with fourteen equivalent GaMg3Ga9 cuboctahedra. All Mg–Mg bond lengths are 3.04 Å. All Mg–Ga bond lengths are 3.04 Å. Ga is bonded to three equivalent Mg and nine equivalent Ga atoms to form distorted GaMg3Ga9 cuboctahedra that share corners with six equivalent MgMg6Ga6 cuboctahedra, corners with twelve equivalent GaMg3Ga9 cuboctahedra, edges with six equivalent MgMg6Ga6 cuboctahedra, edges with twelve equivalent GaMg3Ga9 cuboctahedra, faces with seven equivalent MgMg6Ga6 cuboctahedra, and faces with thirteen equivalent GaMg3Ga9 cuboctahedra. There are three shorter (3.01 Å) and six longer (3.04 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.95–3.01 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In the second Ga site, Ga is bonded in a 5-coordinate geometry to five equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six Ga atoms to form distorted MgMg6Ga6 cuboctahedra that share corners with twelve MgMg6Ga6 cuboctahedra, corners with eighteen GaGa12 cuboctahedra, edges with six equivalent MgMg6Ga6 cuboctahedra, edges with twelve GaMg3Ga3 cuboctahedra, a faceface with one GaGa12 cuboctahedra, and faces with seven MgMg6Ga6 cuboctahedra. All Mg–Mg bond lengths are 3.06 Å. There are three shorter (2.99 Å) and three longer (3.03 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six Ga atoms to form distorted MgMg6Ga6 cuboctahedra that share corners with twelve MgMg6Ga6 cuboctahedra, corners with eighteen GaGa12 cuboctahedra, edges with six equivalent MgMg6Ga6 cuboctahedra, edges with twelve GaMg3Ga3 cuboctahedra, a faceface with one GaGa12 cuboctahedra, and faces with seven MgMg6Ga6 cuboctahedra. All Mg–Mg bond lengths are 3.06 Å. There are three shorter (2.99 Å) and three longer (3.03 Å) Mg–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to twelve Ga atoms to form GaGa12 cuboctahedra that share corners with twelve MgMg6Ga6 cuboctahedra, corners with eighteen GaGa12 cuboctahedra, edges with eighteen GaGa12 cuboctahedra, faces with two MgMg6Ga6 cuboctahedra, and faces with six equivalent GaGa12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.07 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to three equivalent Mg and three equivalent Ga atoms to form distorted GaMg3Ga3 cuboctahedra that share corners with six equivalent MgMg6Ga6 cuboctahedra, corners with eighteen GaGa12 cuboctahedra, edges with six equivalent MgMg6Ga6 cuboctahedra, edges with twelve GaGa12 cuboctahedra, and faces with two GaMg3Ga3 cuboctahedra. In the third Ga site, Ga is bonded to six Mg atoms to form distorted GaMg6 cuboctahedra that share corners with twelve MgMg6Ga6 cuboctahedra, corners with twelve equivalent GaMg3Ga3 cuboctahedra, edges with six equivalent GaMg6 cuboctahedra, edges with twelve MgMg6Ga6 cuboctahedra, and faces with two equivalent GaMg3Ga3 cuboctahedra.

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Materials Data on MgGa2 by Materials Project

MgGa2 is Cuprite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg is bonded to six equivalent Ga atoms to form a mixture of distorted corner and edge-sharing MgGa6 octahedra. The corner-sharing octahedral tilt angles are 64°. There are two shorter (2.64 Å) and four longer (2.85 Å) Mg–Ga bond lengths. Ga is bonded in a 4-coordinate geometry to three equivalent Mg and one Ga atom. The Ga–Ga bond length is 2.49 Å.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to nine Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.90–3.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to five equivalent Mg atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgGa2 by Materials Project

MgGa2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to three equivalent Mg and nine Ga atoms to form distorted MgMg3Ga9 cuboctahedra that share corners with six equivalent GaMg6Ga6 cuboctahedra, corners with twelve MgMg3Ga9 cuboctahedra, edges with six equivalent MgMg3Ga9 cuboctahedra, edges with twelve GaMg4Ga8 cuboctahedra, faces with four equivalent MgMg3Ga9 cuboctahedra, and faces with sixteen GaMg4Ga8 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. There are a spread of Mg–Ga bond distances ranging from 2.99–3.02 Å. In the second Mg site, Mg is bonded to three equivalent Mg and nine Ga atoms to form distorted MgMg3Ga9 cuboctahedra that share corners with six equivalent GaMg6Ga6 cuboctahedra, corners with twelve MgMg3Ga9 cuboctahedra, edges with six equivalent MgMg3Ga9 cuboctahedra, edges with twelve GaMg4Ga8 cuboctahedra, faces with four equivalent MgMg3Ga9 cuboctahedra, and faces with sixteen GaMg4Ga8 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. There are a spread of Mg–Ga bond distances ranging from 2.99–3.02 Å. In the third Mg site, Mg is bonded to three equivalent Mg and nine Ga atoms to form distorted MgMg3Ga9 cuboctahedra that share corners with six equivalent GaMg6Ga6 cuboctahedra, corners with twelve MgMg3Ga9 cuboctahedra, edges with six equivalent MgMg3Ga9 cuboctahedra, edges with twelve GaMg4Ga8 cuboctahedra, faces with four equivalent MgMg3Ga9 cuboctahedra, and faces with sixteen GaMg4Ga8 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. There are a spread of Mg–Ga bond distances ranging from 2.99–3.02 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded to four Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen GaMg4Ga8 cuboctahedra, edges with eight MgMg3Ga9 cuboctahedra, edges with ten GaMg6Ga6 cuboctahedra, faces with eight MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 3.00–3.04 Å. In the second Ga site, Ga is bonded to four Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen GaMg4Ga8 cuboctahedra, edges with eight MgMg3Ga9 cuboctahedra, edges with ten GaMg6Ga6 cuboctahedra, faces with eight MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 3.00–3.04 Å. In the third Ga site, Ga is bonded to six equivalent Mg and six Ga atoms to form distorted GaMg6Ga6 cuboctahedra that share corners with six equivalent GaMg6Ga6 cuboctahedra, corners with twelve MgMg3Ga9 cuboctahedra, edges with eighteen GaMg4Ga8 cuboctahedra, faces with eight MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. Both Ga–Ga bond lengths are 3.00 Å. In the fourth Ga site, Ga is bonded to four Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen GaMg4Ga8 cuboctahedra, edges with eight MgMg3Ga9 cuboctahedra, edges with ten GaMg6Ga6 cuboctahedra, faces with eight MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are four shorter (3.02 Å) and two longer (3.04 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded to four Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen GaMg4Ga8 cuboctahedra, edges with eight MgMg3Ga9 cuboctahedra, edges with ten GaMg6Ga6 cuboctahedra, faces with eight MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are two shorter (3.02 Å) and one longer (3.04 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded to four Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen GaMg4Ga8 cuboctahedra, edges with eight MgMg3Ga9 cuboctahedra, edges with ten GaMg6Ga6 cuboctahedra, faces with eight MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are one shorter (2.99 Å) and one longer (3.01 Å) Ga–Mg bond lengths. There are a spread of Ga–Ga bond distances ranging from 3.00–3.04 Å. In the seventh Ga site, Ga is bonded to four Mg and eight Ga atoms to form distorted GaMg4Ga8 cuboctahedra that share corners with eighteen GaMg4Ga8 cuboctahedra, edges with eight MgMg3Ga9 cuboctahedra, edges with ten GaMg6Ga6 cuboctahedra, faces with eight MgMg3Ga9 cuboctahedra, and faces with twelve GaMg4Ga8 cuboctahedra. There are one shorter (2.99 Å) and one longer (3.01 Å) Ga–Mg bond lengths. There are a spread of Ga–Ga bond distances ranging from 3.00–3.04 Å.

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