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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on V2Ga5 by Materials Project

V2Ga5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten Ga atoms to form a mixture of corner, edge, and face-sharing VV2Ga10 cuboctahedra. Both V–V bond lengths are 2.68 Å. There are a spread of V–Ga bond distances ranging from 2.65–2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent V and six Ga atoms. There are two shorter (2.68 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.96 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3Ga by Materials Project

V3Ga crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Ga atoms. Both V–V bond lengths are 2.39 Å. All V–Ga bond lengths are 2.68 Å. Ga is bonded to twelve equivalent V atoms to form a mixture of edge and face-sharing GaV12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3Ga2 by Materials Project

V3Ga2 is beta-derived structured and crystallizes in the cubic P4_132 space group. The structure is three-dimensional. V is bonded in a 12-coordinate geometry to six equivalent V and six equivalent Ga atoms. There are two shorter (2.70 Å) and four longer (2.77 Å) V–V bond lengths. There are a spread of V–Ga bond distances ranging from 2.63–2.79 Å. Ga is bonded to nine equivalent V and three equivalent Ga atoms to form a mixture of corner and face-sharing GaV9Ga3 cuboctahedra. All Ga–Ga bond lengths are 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3Ga by Materials Project

V3Ga crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to two equivalent V and four equivalent Ga atoms. Both V–V bond lengths are 2.59 Å. There are two shorter (2.67 Å) and two longer (3.00 Å) V–Ga bond lengths. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight V atoms. All V–V bond lengths are 2.62 Å. Ga is bonded in a 12-coordinate geometry to eight equivalent V and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VGa by Materials Project

VGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. V is bonded to six equivalent V and six equivalent Ga atoms to form VV6Ga6 cuboctahedra that share corners with eighteen equivalent VV6Ga6 cuboctahedra, edges with six equivalent VV6Ga6 cuboctahedra, edges with twelve equivalent GaV6Ga6 cuboctahedra, faces with eight equivalent VV6Ga6 cuboctahedra, and faces with twelve equivalent GaV6Ga6 cuboctahedra. All V–V bond lengths are 2.78 Å. All V–Ga bond lengths are 2.70 Å. Ga is bonded to six equivalent V and six equivalent Ga atoms to form GaV6Ga6 cuboctahedra that share corners with eighteen equivalent GaV6Ga6 cuboctahedra, edges with six equivalent GaV6Ga6 cuboctahedra, edges with twelve equivalent VV6Ga6 cuboctahedra, faces with eight equivalent GaV6Ga6 cuboctahedra, and faces with twelve equivalent VV6Ga6 cuboctahedra. All Ga–Ga bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V6Ga7 by Materials Project

V6Ga7 is gamma-brass-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are six inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to four V and eight Ga atoms. There are a spread of V–V bond distances ranging from 2.69–2.82 Å. There are a spread of V–Ga bond distances ranging from 2.59–2.70 Å. In the second V site, V is bonded in a 12-coordinate geometry to five V and seven Ga atoms. There are a spread of V–V bond distances ranging from 2.61–2.81 Å. There are a spread of V–Ga bond distances ranging from 2.59–2.75 Å. In the third V site, V is bonded in a 2-coordinate geometry to five V and eight Ga atoms. There are two shorter (2.63 Å) and one longer (2.67 Å) V–V bond lengths. There are a spread of V–Ga bond distances ranging from 2.64–2.99 Å. In the fourth V site, V is bonded in a 3-coordinate geometry to four V and nine Ga atoms. There are one shorter (2.62 Å) and one longer (2.64 Å) V–V bond lengths. There are a spread of V–Ga bond distances ranging from 2.62–2.94 Å. In the fifth V site, V is bonded in a 11-coordinate geometry to three V and ten Ga atoms. There are a spread of V–Ga bond distances ranging from 2.65–2.90 Å. In the sixth V site, V is bonded in a 12-coordinate geometry to seven V and five Ga atoms. The V–V bond length is 2.77 Å. There are a spread of V–Ga bond distances ranging from 2.69–2.73 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to seven V and four Ga atoms. There are two shorter (2.70 Å) and two longer (2.74 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to seven V and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.69–2.74 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to six V and five Ga atoms. There are two shorter (2.68 Å) and one longer (2.80 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to six V and five Ga atoms. The Ga–Ga bond length is 2.81 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to eight V and four Ga atoms. The Ga–Ga bond length is 2.64 Å.

36 MATERIALS SCIENCE↗