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InI4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Fm-3c space group. The structure is zero-dimensional and consists of twenty-four InI4 clusters. In is bonded in a tetrahedral geometry to four equivalent I atoms. All In–I bond lengths are 2.76 Å. I is bonded in a single-bond geometry to one In atom.
InTeI7 crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two InTeI7 sheets oriented in the (0, 0, 1) direction. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four I1- atoms to form InI4 tetrahedra that share corners with two TeI6 octahedra and an edgeedge with one TeI6 octahedra. The corner-sharing octahedra tilt angles range from 62–65°. There are a spread of In–I bond distances ranging from 2.76–2.80 Å. In the second In3+ site, In3+ is bonded to four I1- atoms to form InI4 tetrahedra that share corners with two equivalent TeI6 octahedra. The corner-sharing octahedra tilt angles range from 51–63°. There are a spread of In–I bond distances ranging from 2.76–2.81 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six I1- atoms to form distorted TeI6 octahedra that share corners with three InI4 tetrahedra. There are a spread of Te–I bond distances ranging from 2.75–3.66 Å. In the second Te4+ site, Te4+ is bonded to six I1- atoms to form distorted TeI6 octahedra that share a cornercorner with one InI4 tetrahedra and an edgeedge with one InI4 tetrahedra. There are a spread of Te–I bond distances ranging from 2.77–3.60 Å. There are fourteen inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one In3+ and one Te4+ atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to one In3+ and one Te4+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to one In3+ and one Te4+ atom. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the sixth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the seventh I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the eighth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the ninth I1- site, I1- is bonded in a distorted L-shaped geometry to one In3+ and one Te4+ atom. In the tenth I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the eleventh I1- site, I1- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Te4+ atom. In the twelfth I1- site, I1- is bonded in a distorted bent 120 degrees geometry to one In3+ and one Te4+ atom. In the thirteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom.
NaInI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six I1- atoms to form NaI6 octahedra that share corners with two equivalent NaI6 octahedra, corners with two equivalent InI4 tetrahedra, an edgeedge with one NaI6 octahedra, and edges with two equivalent InI4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Na–I bond distances ranging from 3.22–3.45 Å. In3+ is bonded to four I1- atoms to form InI4 tetrahedra that share corners with two equivalent NaI6 octahedra and edges with two equivalent NaI6 octahedra. The corner-sharing octahedra tilt angles range from 62–65°. There are a spread of In–I bond distances ranging from 2.74–2.80 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to one Na1+ and one In3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one In3+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a bent 120 degrees geometry to one Na1+ and one In3+ atom.
LiInI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six I1- atoms to form LiI6 octahedra that share corners with two equivalent LiI6 octahedra, corners with two equivalent InI4 tetrahedra, an edgeedge with one LiI6 octahedra, and edges with two equivalent InI4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Li–I bond distances ranging from 2.90–3.30 Å. In3+ is bonded to four I1- atoms to form InI4 tetrahedra that share corners with two equivalent LiI6 octahedra and edges with two equivalent LiI6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are a spread of In–I bond distances ranging from 2.74–2.80 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to one Li1+ and one In3+ atom. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one In3+ atom. In the third I1- site, I1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one In3+ atom. In the fourth I1- site, I1- is bonded in a bent 120 degrees geometry to one Li1+ and one In3+ atom.
AuI4InI4N2 is Modderite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four AuI4 clusters, and four InI4 clusters. In each AuI4 cluster, Au3+ is bonded in a distorted rectangular see-saw-like geometry to four I1- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to one Au3+ atom. In each InI4 cluster, In3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of In–I bond distances ranging from 2.71–2.83 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one In3+ atom.
InI3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two InI3 clusters. In3+ is bonded to four I1- atoms to form edge-sharing InI4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.89 Å) In–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one In3+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent In3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one In3+ atom.
NiI is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ni1+ is bonded to four equivalent I1- atoms to form corner-sharing NiI4 tetrahedra. There are one shorter (2.51 Å) and three longer (2.52 Å) Ni–I bond lengths. I1- is bonded to four equivalent Ni1+ atoms to form corner-sharing INi4 tetrahedra.