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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↗

Materials Data on Ga2S3 by Materials Project

Ga2S3 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Ga3S4 sheet oriented in the (0, 0, 1) direction and one GaS2 sheet oriented in the (0, 0, 1) direction. In the Ga3S4 sheet, there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are three shorter (2.33 Å) and one longer (2.49 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 one shorter (2.08 Å) and three longer (2.51 Å) Ga–S bond lengths. In the third Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.35 Å) and three longer (2.37 Å) Ga–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Ga3+ atoms to form corner-sharing SGa4 tetrahedra. In the second S2- site, S2- is bonded in a single-bond geometry to one Ga3+ atom. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the fourth S2- site, S2- is bonded to four Ga3+ atoms to form corner-sharing SGa4 tetrahedra. In the GaS2 sheet, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.23 Å) and three longer (2.44 Å) Ga–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗