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DOE OSTI2020

Materials Data on Ga2Se3 by Materials Project

Ga2Se3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.38–2.51 Å. In the second Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.37–2.50 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ga2Se3 by Materials Project

Ga2Se3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.64–3.25 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Se2- atoms. There are a spread of Ga–Se bond distances ranging from 2.27–2.47 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three Ga3+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to two Ga3+ and one Se2- atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ga2Se3 by Materials Project

Ga2Se3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.37–2.49 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Surface migration and volume diffusion in the AgGaSe2-Ag2Se system

Surface migration and volume diffusion in the Ag2Se-AgGaSe2 system were investigated using reactive diffusion couples which were analyzed by X-ray diffraction, optical microscopy, and electron probe microanalysis. The surface diffusivities of all mobile species are found to be much larger than volume diffusivities. The results of the study suggest that Se moves together with Ag and Ga to maintain binary (Ag2Se and Ga2Se3) stoichiometry and electroneutrality. The dominance of surface migration kinetics can account for the uniform annihilation of second-phase precipitates during heat treatments.

Kim, N.-H.↗