U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-23238
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; I-Ta; Ta3I7; crystal structure
- OSTI Identifier:
- 1199356
- DOI:
- https://doi.org/10.17188/1199356
Citation Formats
Materials Data on Ta3I7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199356.
Materials Data on Ta3I7 by Materials Project. United States. doi:https://doi.org/10.17188/1199356
2020.
"Materials Data on Ta3I7 by Materials Project". United States. doi:https://doi.org/10.17188/1199356. https://www.osti.gov/servlets/purl/1199356. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1199356,
title = {Materials Data on Ta3I7 by 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},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}