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9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ga3+ is bonded in a linear geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.73 Å. As3- is bonded to two equivalent Ga3+ and four equivalent As3- atoms to form a mixture of edge and corner-sharing AsGa2As4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.71 Å) and two longer (2.72 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs is SC16 CuCl, stable at 5GPa structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. There are one shorter (2.45 Å) and three longer (2.54 Å) Ga–As bond lengths. As3- is bonded to four equivalent Ga3+ atoms to form corner-sharing AsGa4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. All Ga–As bond lengths are 2.49 Å. As3- is bonded to four equivalent Ga3+ atoms to form corner-sharing AsGa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ga3+ is bonded in a distorted see-saw-like geometry to four equivalent As3- atoms. There are two shorter (2.67 Å) and two longer (2.69 Å) Ga–As bond lengths. As3- is bonded in a distorted see-saw-like geometry to four equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. There are three shorter (2.49 Å) and one longer (2.50 Å) Ga–As bond lengths. As3- is bonded to four equivalent Ga3+ atoms to form corner-sharing AsGa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ga3+ is bonded in a distorted bent 150 degrees geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.82 Å. As3- is bonded in a 6-coordinate geometry to two equivalent Ga3+ and four equivalent As3- atoms. There are two shorter (2.68 Å) and two longer (2.82 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs3 by Materials Project

GaAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ga3+ is bonded in a body-centered cubic geometry to eight equivalent As1- atoms. All Ga–As bond lengths are 2.91 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a body-centered cubic geometry to four equivalent Ga3+ and four equivalent As1- atoms. All As–As bond lengths are 2.91 Å. In the second As1- site, As1- is bonded in a body-centered cubic geometry to eight equivalent As1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAs by Materials Project

GaAs crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a single-bond geometry to one As3- atom. The Ga–As bond length is 2.75 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.35–2.48 Å. In the third Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are a spread of Ga–As bond distances ranging from 2.34–2.47 Å. In the fourth Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are one shorter (2.43 Å) and two longer (2.47 Å) Ga–As bond lengths. In the fifth Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three As3- atoms. There are one shorter (2.43 Å) and two longer (2.48 Å) Ga–As bond lengths. In the sixth Ga3+ site, Ga3+ is bonded in a distorted trigonal pyramidal geometry to four As3- atoms. There are a spread of Ga–As bond distances ranging from 2.44–2.51 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a rectangular see-saw-like geometry to four Ga3+ atoms. In the second As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three Ga3+ atoms. In the third As3- site, As3- is bonded in a distorted trigonal non-coplanar geometry to three Ga3+ atoms. In the fourth As3- site, As3- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the fifth As3- site, As3- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the sixth As3- site, As3- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga3As by Materials Project

Ga3As 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 As atoms to form distorted GaGa8As4 cuboctahedra that share corners with twelve equivalent GaGa8As4 cuboctahedra, edges with eight equivalent AsGa12 cuboctahedra, edges with sixteen equivalent GaGa8As4 cuboctahedra, faces with four equivalent AsGa12 cuboctahedra, and faces with fourteen equivalent GaGa8As4 cuboctahedra. All Ga–Ga bond lengths are 3.05 Å. All Ga–As bond lengths are 3.05 Å. As is bonded to twelve equivalent Ga atoms to form AsGa12 cuboctahedra that share corners with twelve equivalent AsGa12 cuboctahedra, edges with twenty-four equivalent GaGa8As4 cuboctahedra, faces with six equivalent AsGa12 cuboctahedra, and faces with twelve equivalent GaGa8As4 cuboctahedra.

36 MATERIALS SCIENCE↗