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Title: Materials Data on Ta2I5 by Materials Project

Abstract

Ta2I5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ta2I5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Ta–I bond distances ranging from 2.73–2.99 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Ta–I bond distances ranging from 2.73–3.00 Å. There are five inequivalent I sites. In the first I site, I is bonded in a bent 120 degrees geometry to two Ta atoms. In the second I site, I is bonded in a bent 150 degrees geometry to two Ta atoms. In the third I site, I is bonded in a 2-coordinate geometry to two Ta atoms. In the fourth I site, I is bonded in a 2-coordinate geometry to two Ta atoms. In the fifth I site, I is bonded in a bent 150 degrees geometry to two Ta atoms.

Authors:
Publication Date:
Other Number(s):
mp-32554
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; Ta2I5; I-Ta
OSTI Identifier:
1206306
DOI:
https://doi.org/10.17188/1206306

Citation Formats

The Materials Project. Materials Data on Ta2I5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206306.
The Materials Project. Materials Data on Ta2I5 by Materials Project. United States. doi:https://doi.org/10.17188/1206306
The Materials Project. 2020. "Materials Data on Ta2I5 by Materials Project". United States. doi:https://doi.org/10.17188/1206306. https://www.osti.gov/servlets/purl/1206306. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1206306,
title = {Materials Data on Ta2I5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta2I5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ta2I5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Ta–I bond distances ranging from 2.73–2.99 Å. In the second Ta site, Ta is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Ta–I bond distances ranging from 2.73–3.00 Å. There are five inequivalent I sites. In the first I site, I is bonded in a bent 120 degrees geometry to two Ta atoms. In the second I site, I is bonded in a bent 150 degrees geometry to two Ta atoms. In the third I site, I is bonded in a 2-coordinate geometry to two Ta atoms. In the fourth I site, I is bonded in a 2-coordinate geometry to two Ta atoms. In the fifth I site, I is bonded in a bent 150 degrees geometry to two Ta atoms.},
doi = {10.17188/1206306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}