U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2LaTa6(Br5O)3 by Materials Project
Abstract
K2LaTa6(OBr5)3 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine Br atoms. There are a spread of K–Br bond distances ranging from 3.65–3.85 Å. La is bonded in a distorted trigonal planar geometry to three equivalent O and six equivalent Br atoms. All La–O bond lengths are 2.54 Å. All La–Br bond lengths are 3.32 Å. Ta is bonded in a 1-coordinate geometry to one O and four Br atoms. The Ta–O bond length is 1.99 Å. There are a spread of Ta–Br bond distances ranging from 2.61–2.78 Å. O is bonded in a 3-coordinate geometry to one La and two equivalent Ta atoms. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to two equivalent K, one La, and one Ta atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to one K and two equivalent Ta atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212099
- 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; K2LaTa6(Br5O)3; Br-K-La-O-Ta
- OSTI Identifier:
- 1732395
- DOI:
- https://doi.org/10.17188/1732395
Citation Formats
The Materials Project. Materials Data on K2LaTa6(Br5O)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732395.
The Materials Project. Materials Data on K2LaTa6(Br5O)3 by Materials Project. United States. doi:https://doi.org/10.17188/1732395
The Materials Project. 2020.
"Materials Data on K2LaTa6(Br5O)3 by Materials Project". United States. doi:https://doi.org/10.17188/1732395. https://www.osti.gov/servlets/purl/1732395. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1732395,
title = {Materials Data on K2LaTa6(Br5O)3 by Materials Project},
author = {The Materials Project},
abstractNote = {K2LaTa6(OBr5)3 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine Br atoms. There are a spread of K–Br bond distances ranging from 3.65–3.85 Å. La is bonded in a distorted trigonal planar geometry to three equivalent O and six equivalent Br atoms. All La–O bond lengths are 2.54 Å. All La–Br bond lengths are 3.32 Å. Ta is bonded in a 1-coordinate geometry to one O and four Br atoms. The Ta–O bond length is 1.99 Å. There are a spread of Ta–Br bond distances ranging from 2.61–2.78 Å. O is bonded in a 3-coordinate geometry to one La and two equivalent Ta atoms. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to two equivalent K, one La, and one Ta atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to one K and two equivalent Ta atoms.},
doi = {10.17188/1732395},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}