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14 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg2Ga sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.20 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg9Ga3 cuboctahedra. All Mg–Mg bond lengths are 3.12 Å. All Mg–Ga bond lengths are 3.04 Å. Ga is bonded in a 12-coordinate geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mg2Ga sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Ga atoms. There are one shorter (2.83 Å) and two longer (2.97 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Ga atoms. There are two shorter (2.97 Å) and two longer (2.98 Å) Mg–Ga bond lengths. Ga is bonded in a 7-coordinate geometry to seven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg2Ga sheets oriented in the (0, 0, 1) direction. Mg is bonded to three equivalent Ga atoms to form a mixture of distorted corner and face-sharing MgGa3 cuboctahedra. All Mg–Ga bond lengths are 3.02 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mg2Ga sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.95–3.01 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form a mixture of distorted edge and corner-sharing MgGa4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.97–3.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.15 Å. There are two shorter (3.00 Å) and two longer (3.05 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form MgMg6Ga6 cuboctahedra that share corners with six equivalent MgMg6Ga6 cuboctahedra, edges with eighteen MgMg8Ga4 cuboctahedra, and faces with twelve equivalent MgMg8Ga4 cuboctahedra. All Mg–Ga bond lengths are 3.14 Å. Ga is bonded in a 12-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Mg and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing MgMg2Ga4 cuboctahedra. Both Mg–Mg bond lengths are 3.06 Å. All Mg–Ga bond lengths are 3.02 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form MgMg6Ga6 cuboctahedra that share corners with twelve equivalent MgMg2Ga4 cuboctahedra, edges with eighteen MgMg2Ga4 cuboctahedra, and faces with two equivalent MgMg6Ga6 cuboctahedra. All Mg–Ga bond lengths are 3.14 Å. Ga is bonded in a 12-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent Ga atoms. There are two shorter (3.02 Å) and six longer (3.20 Å) Mg–Mg bond lengths. There are two shorter (2.89 Å) and two longer (3.12 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and two equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing MgMg6Ga2 cuboctahedra. Both Mg–Ga bond lengths are 2.98 Å. Ga is bonded in a 6-coordinate geometry to six Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to four equivalent Mg and two equivalent Ga atoms. All Mg–Mg bond lengths are 3.03 Å. Both Mg–Ga bond lengths are 2.96 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ga atoms. Both Mg–Mg bond lengths are 3.02 Å. All Mg–Ga bond lengths are 3.01 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are two shorter (2.96 Å) and four longer (3.01 Å) Mg–Ga bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Ga atoms. Both Mg–Mg bond lengths are 3.33 Å. There are two shorter (3.10 Å) and two longer (3.13 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 3.04 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.22 Å. There are two shorter (2.92 Å) and one longer (3.22 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and five equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.95–3.06 Å. Ga is bonded in a 10-coordinate geometry to eight Mg and two equivalent Ga atoms. Both Ga–Ga bond lengths are 3.06 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.92–3.07 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Ga atoms. There are two shorter (2.97 Å) and two longer (3.02 Å) Mg–Ga bond lengths. Ga is bonded in a 9-coordinate geometry to nine Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and three Ga atoms to form distorted MgMg7Ga3 cuboctahedra that share corners with fourteen MgMg7Ga3 cuboctahedra, an edgeedge with one MgMg7Ga5 cuboctahedra, and faces with ten MgMg7Ga3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.17 Å. There are two shorter (2.98 Å) and one longer (3.03 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to seven Mg and five Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Ga5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.13 Å. There are a spread of Mg–Ga bond distances ranging from 2.95–3.13 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Ga atoms. There are two shorter (3.10 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are a spread of Mg–Ga bond distances ranging from 2.87–3.14 Å. In the fourth Mg site, Mg is bonded to eight Mg and four Ga atoms to form distorted MgMg8Ga4 cuboctahedra that share corners with eight MgMg7Ga3 cuboctahedra, edges with four equivalent MgMg7Ga5 cuboctahedra, and faces with eleven MgMg7Ga3 cuboctahedra. Both Mg–Mg bond lengths are 3.10 Å. There are two shorter (3.05 Å) and two longer (3.14 Å) Mg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight Mg atoms. In the second Ga site, Ga is bonded in a 8-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Ga atoms to form distorted MgMg6Ga6 cuboctahedra that share corners with twelve MgMg4Ga2 cuboctahedra, edges with fifteen MgMg6Ga6 cuboctahedra, and faces with six equivalent MgMg6Ga6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.23 Å. There are two shorter (2.96 Å) and four longer (3.06 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to four equivalent Mg and two equivalent Ga atoms to form a mixture of distorted corner and edge-sharing MgMg4Ga2 cuboctahedra. Both Mg–Ga bond lengths are 2.96 Å. Ga is bonded in a 12-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ga by Materials Project

Mg2Ga crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven equivalent Mg and five equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.17 Å. There are a spread of Mg–Ga bond distances ranging from 2.95–3.13 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.17 Å. There are a spread of Mg–Ga bond distances ranging from 2.95–3.13 Å. Ga is bonded in a 10-coordinate geometry to ten Mg atoms.

36 MATERIALS SCIENCE↗