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All sourcesNASA NTRSDOE OSTI
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↗