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Materials Data on GaSbCl6 by Materials Project

GaSbCl6 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four GaSbCl6 ribbons oriented in the (0, 1, 0) direction. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.16–2.27 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.35–2.79 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Ga3+ and one Sb3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Ga3+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Ga(SbCl)4 by Materials Project

(Sb)4GaCl4 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of thirty-two antimony molecules and eight GaCl4 clusters. In each GaCl4 cluster, Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.20 Å) and one longer (2.21 Å) Ga–Cl bond lengths. There are four 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 a single-bond geometry to one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗