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Materials Data on GaSi3 by Materials Project

GaSi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ga is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Ga–Si bond lengths are 2.74 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to four equivalent Ga and four equivalent Si atoms. All Si–Si bond lengths are 2.74 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ga3Si by Materials Project

Ga3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga is bonded to eight equivalent Ga and four equivalent Si atoms to form GaGa8Si4 cuboctahedra that share corners with twelve equivalent GaGa8Si4 cuboctahedra, edges with eight equivalent SiGa12 cuboctahedra, edges with sixteen equivalent GaGa8Si4 cuboctahedra, faces with four equivalent SiGa12 cuboctahedra, and faces with fourteen equivalent GaGa8Si4 cuboctahedra. All Ga–Ga bond lengths are 2.92 Å. All Ga–Si bond lengths are 2.92 Å. Si is bonded to twelve equivalent Ga atoms to form SiGa12 cuboctahedra that share corners with twelve equivalent SiGa12 cuboctahedra, edges with twenty-four equivalent GaGa8Si4 cuboctahedra, faces with six equivalent SiGa12 cuboctahedra, and faces with twelve equivalent GaGa8Si4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ga3Si by Materials Project

Ga3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ga is bonded to eight equivalent Ga and four equivalent Si atoms to form GaGa8Si4 cuboctahedra that share corners with four equivalent SiGa12 cuboctahedra, corners with fourteen equivalent GaGa8Si4 cuboctahedra, edges with six equivalent SiGa12 cuboctahedra, edges with twelve equivalent GaGa8Si4 cuboctahedra, faces with four equivalent SiGa12 cuboctahedra, and faces with sixteen equivalent GaGa8Si4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.92–3.04 Å. There are two shorter (2.90 Å) and two longer (3.00 Å) Ga–Si bond lengths. Si is bonded to twelve equivalent Ga atoms to form SiGa12 cuboctahedra that share corners with six equivalent SiGa12 cuboctahedra, corners with twelve equivalent GaGa8Si4 cuboctahedra, edges with eighteen equivalent GaGa8Si4 cuboctahedra, faces with eight equivalent SiGa12 cuboctahedra, and faces with twelve equivalent GaGa8Si4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on GaSi3 by Materials Project

GaSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ga is bonded to twelve Si atoms to form a mixture of distorted corner, edge, and face-sharing GaSi12 cuboctahedra. There are four shorter (2.62 Å) and eight longer (2.96 Å) Ga–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to four equivalent Ga and four equivalent Si atoms. All Si–Si bond lengths are 2.62 Å. In the second Si site, Si is bonded in a square co-planar geometry to four equivalent Ga atoms.

36 MATERIALS SCIENCE↗