U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrLa2Cl8 by Materials Project
Abstract
SrLa2Cl8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent Cl1- atoms. All Sr–Cl bond lengths are 2.87 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent Cl1- atoms. All Sr–Cl bond lengths are 2.88 Å. La3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing LaCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.72–3.06 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent La3+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sr2+ and one La3+ atom.
- Publication Date:
- Other Number(s):
- mp-755892
- 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; Cl-La-Sr; SrLa2Cl8; crystal structure
- OSTI Identifier:
- 1290258
- DOI:
- https://doi.org/10.17188/1290258
Citation Formats
Materials Data on SrLa2Cl8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290258.
Materials Data on SrLa2Cl8 by Materials Project. United States. doi:https://doi.org/10.17188/1290258
2020.
"Materials Data on SrLa2Cl8 by Materials Project". United States. doi:https://doi.org/10.17188/1290258. https://www.osti.gov/servlets/purl/1290258. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290258,
title = {Materials Data on SrLa2Cl8 by Materials Project},
abstractNote = {SrLa2Cl8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent Cl1- atoms. All Sr–Cl bond lengths are 2.87 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent Cl1- atoms. All Sr–Cl bond lengths are 2.88 Å. La3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing LaCl7 pentagonal bipyramids. There are a spread of La–Cl bond distances ranging from 2.72–3.06 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent La3+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent La3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Sr2+ and one La3+ atom.},
doi = {10.17188/1290258},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}