Materials Data on Te2I by Materials Project
Abstract
TeITe crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four TeITe ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Te sites. In the first Te site, Te is bonded in a rectangular see-saw-like geometry to two equivalent Te and two equivalent I atoms. Both Te–Te bond lengths are 2.92 Å. Both Te–I bond lengths are 3.09 Å. In the second Te site, Te is bonded in a distorted trigonal non-coplanar geometry to three Te atoms. The Te–Te bond length is 2.96 Å. In the third Te site, Te is bonded in a distorted T-shaped geometry to three Te atoms. Both Te–Te bond lengths are 2.90 Å. In the fourth Te site, Te is bonded in a square co-planar geometry to two equivalent Te and two equivalent I atoms. Both Te–I bond lengths are 3.14 Å. There are two inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Te atoms. In the second I site, I is bonded in an L-shaped geometry to two equivalent Te atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-27655
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Te2I; I-Te
- OSTI Identifier:
- 1201861
- DOI:
- https://doi.org/10.17188/1201861
Citation Formats
The Materials Project. Materials Data on Te2I by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201861.
The Materials Project. Materials Data on Te2I by Materials Project. United States. doi:https://doi.org/10.17188/1201861
The Materials Project. 2020.
"Materials Data on Te2I by Materials Project". United States. doi:https://doi.org/10.17188/1201861. https://www.osti.gov/servlets/purl/1201861. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1201861,
title = {Materials Data on Te2I by Materials Project},
author = {The Materials Project},
abstractNote = {TeITe crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four TeITe ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Te sites. In the first Te site, Te is bonded in a rectangular see-saw-like geometry to two equivalent Te and two equivalent I atoms. Both Te–Te bond lengths are 2.92 Å. Both Te–I bond lengths are 3.09 Å. In the second Te site, Te is bonded in a distorted trigonal non-coplanar geometry to three Te atoms. The Te–Te bond length is 2.96 Å. In the third Te site, Te is bonded in a distorted T-shaped geometry to three Te atoms. Both Te–Te bond lengths are 2.90 Å. In the fourth Te site, Te is bonded in a square co-planar geometry to two equivalent Te and two equivalent I atoms. Both Te–I bond lengths are 3.14 Å. There are two inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Te atoms. In the second I site, I is bonded in an L-shaped geometry to two equivalent Te atoms.},
doi = {10.17188/1201861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}