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Title: Materials Data on Ta3I7 by Materials Project

Abstract

Ta3I7 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Ta3I7 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to four I atoms. All Ta–I bond lengths are 2.84 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 2.81–3.18 Å. There are five inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second I site, I is bonded in a 2-coordinate geometry to two equivalent 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 distorted bent 120 degrees geometry to two equivalent Ta atoms. In the fifth I site, I is bonded in a 2-coordinate geometry to two Ta atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1199356
Report Number(s):
mp-23238
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ta3I7; I-Ta

Citation Formats

The Materials Project. Materials Data on Ta3I7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199356.
The Materials Project. Materials Data on Ta3I7 by Materials Project. United States. https://doi.org/10.17188/1199356
The Materials Project. 2020. "Materials Data on Ta3I7 by Materials Project". United States. https://doi.org/10.17188/1199356. https://www.osti.gov/servlets/purl/1199356.
@article{osti_1199356,
title = {Materials Data on Ta3I7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta3I7 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Ta3I7 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to four I atoms. All Ta–I bond lengths are 2.84 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 2.81–3.18 Å. There are five inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second I site, I is bonded in a 2-coordinate geometry to two equivalent 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 distorted bent 120 degrees geometry to two equivalent Ta atoms. In the fifth I site, I is bonded in a 2-coordinate geometry to two Ta atoms.},
doi = {10.17188/1199356},
url = {https://www.osti.gov/biblio/1199356}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}