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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaCl3 by Materials Project

GaCl3 is Copper structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two GaCl3 clusters. Ga3+ is bonded to four Cl1- atoms to form edge-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.12–2.34 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaCl2 by Materials Project

GaCl2 is Iron carbide-like structured and crystallizes in the orthorhombic Pnna space group. The structure is zero-dimensional and consists of four gallium molecules and four GaCl4 clusters. In each GaCl4 cluster, Ga2+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Ga–Cl bond lengths are 2.21 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaCl3 by Materials Project

GaCl3 is Copper structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one GaCl3 cluster. Ga3+ is bonded to four Cl1- atoms to form edge-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.12–2.34 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga3Cl7 by Materials Project

Ga3Cl7 is beta Np structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four Ga3Cl7 clusters. there are three inequivalent Ga+2.33+ sites. In the first Ga+2.33+ site, Ga+2.33+ is bonded in a distorted single-bond geometry to one Cl1- atom. The Ga–Cl bond length is 3.02 Å. In the second Ga+2.33+ site, Ga+2.33+ is bonded to four Cl1- atoms to form corner-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.17–2.33 Å. In the third Ga+2.33+ site, Ga+2.33+ is bonded to four Cl1- atoms to form corner-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.17–2.35 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.33+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.33+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.33+ atom. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to two Ga+2.33+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.33+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.33+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two Ga+2.33+ atoms.

36 MATERIALS SCIENCE↗