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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1277851
- Report Number(s):
- mp-616327
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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