DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TaI2O by Materials Project

Abstract

TaOI2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two TaOI2 sheets oriented in the (1, 0, 0) direction. Ta4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Ta–O bond lengths are 1.95 Å. There are two shorter (2.79 Å) and two longer (2.91 Å) Ta–I bond lengths. O2- is bonded in a linear geometry to two equivalent Ta4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Ta4+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ta4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-29027
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; TaI2O; I-O-Ta
OSTI Identifier:
1203072
DOI:
https://doi.org/10.17188/1203072

Citation Formats

The Materials Project. Materials Data on TaI2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203072.
The Materials Project. Materials Data on TaI2O by Materials Project. United States. doi:https://doi.org/10.17188/1203072
The Materials Project. 2020. "Materials Data on TaI2O by Materials Project". United States. doi:https://doi.org/10.17188/1203072. https://www.osti.gov/servlets/purl/1203072. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203072,
title = {Materials Data on TaI2O by Materials Project},
author = {The Materials Project},
abstractNote = {TaOI2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two TaOI2 sheets oriented in the (1, 0, 0) direction. Ta4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Ta–O bond lengths are 1.95 Å. There are two shorter (2.79 Å) and two longer (2.91 Å) Ta–I bond lengths. O2- is bonded in a linear geometry to two equivalent Ta4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Ta4+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ta4+ atoms.},
doi = {10.17188/1203072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}