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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on InTeI by Materials Project

InTeI crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one InTeI sheet oriented in the (0, 0, 1) direction. In3+ is bonded to three equivalent Te2- and one I1- atom to form a mixture of corner and edge-sharing InTe3I tetrahedra. There are a spread of In–Te bond distances ranging from 2.84–2.90 Å. The In–I bond length is 2.76 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent In3+ atoms. I1- is bonded in a distorted single-bond geometry to one In3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Te3I by Materials Project

In3Te3I crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent In+2.33+ sites. In the first In+2.33+ site, In+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are one shorter (2.87 Å) and two longer (2.90 Å) In–Te bond lengths. In the second In+2.33+ site, In+2.33+ is bonded to three Te2- and one I1- atom to form corner-sharing InTe3I tetrahedra. There are one shorter (2.85 Å) and two longer (2.87 Å) In–Te bond lengths. The In–I bond length is 2.77 Å. In the third In+2.33+ site, In+2.33+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. All In–Te bond lengths are 2.89 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three In+2.33+ and two equivalent I1- atoms. Both Te–I bond lengths are 4.00 Å. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three In+2.33+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to three In+2.33+ atoms. I1- is bonded in a distorted single-bond geometry to one In+2.33+ and two equivalent Te2- atoms.

36 MATERIALS SCIENCE↗