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Materials Data on In5Cl9 by Materials Project

(In)3In2Cl9 crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of eighteen indium molecules and six In2Cl9 clusters. In each In2Cl9 cluster, In+1.80+ is bonded to six Cl1- atoms to form distorted face-sharing InCl6 octahedra. There are three shorter (2.46 Å) and three longer (2.67 Å) In–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent In+1.80+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In+1.80+ atom.

36 MATERIALS SCIENCE↗

Materials Data on InCl by Materials Project

InCl is BCT5-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two InCl sheets oriented in the (0, 1, 0) direction. In1+ is bonded to five equivalent Cl1- atoms to form a mixture of edge and corner-sharing InCl5 square pyramids. There are one shorter (2.87 Å) and four longer (3.20 Å) In–Cl bond lengths. Cl1- is bonded to five equivalent In1+ atoms to form a mixture of distorted edge and corner-sharing ClIn5 square pyramids.

36 MATERIALS SCIENCE↗

Materials Data on InCl by Materials Project

InCl is Millerite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two InCl sheets oriented in the (0, 1, 0) direction. In1+ is bonded to five equivalent Cl1- atoms to form a mixture of distorted corner and edge-sharing InCl5 square pyramids. There are a spread of In–Cl bond distances ranging from 2.87–3.26 Å. Cl1- is bonded to five equivalent In1+ atoms to form a mixture of distorted corner and edge-sharing ClIn5 square pyramids.

36 MATERIALS SCIENCE↗

Materials Data on InCl3 by Materials Project

InCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two InCl3 ribbons oriented in the (0, 0, 1) direction. In3+ is bonded to six equivalent Cl1- atoms to form distorted face-sharing InCl6 pentagonal pyramids. All In–Cl bond lengths are 2.58 Å. Cl1- is bonded in an L-shaped geometry to two equivalent In3+ atoms.

36 MATERIALS SCIENCE↗