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Materials Data on GaS by Materials Project

GaS is black P-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of four GaS sheets oriented in the (0, 0, 1) direction. Ga2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All Ga–S bond lengths are 2.36 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ga2S3 by Materials Project

Ga2S3 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 S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.22 Å) and three longer (2.35 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.23–2.36 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ga3+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ga2S3 by Materials Project

Ga2S3 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 S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.22–2.36 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.22–2.36 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two Ga3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on GaS by Materials Project

GaS is black P-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of four GaS sheets oriented in the (0, 0, 1) direction. Ga2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All Ga–S bond lengths are 2.36 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on GaS by Materials Project

GaS is black P-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six GaS sheets oriented in the (0, 0, 1) direction. Ga2+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Ga–S bond lengths are 2.36 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ga2+ atoms.

36 MATERIALS SCIENCE↗