Materials Data on LaF3 by Materials Project
Abstract
LaF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to six La3+ and six equivalent F1- atoms to form face-sharing FLa6F6 cuboctahedra. All F–F bond lengths are 2.57 Å. In the second F1- site, F1- is bonded in a trigonal planar geometry to three La3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four La3+ and one F1- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-17171
- 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; LaF3; F-La
- OSTI Identifier:
- 1192371
- DOI:
- https://doi.org/10.17188/1192371
Citation Formats
The Materials Project. Materials Data on LaF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192371.
The Materials Project. Materials Data on LaF3 by Materials Project. United States. doi:https://doi.org/10.17188/1192371
The Materials Project. 2020.
"Materials Data on LaF3 by Materials Project". United States. doi:https://doi.org/10.17188/1192371. https://www.osti.gov/servlets/purl/1192371. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192371,
title = {Materials Data on LaF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaF3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. In the second La3+ site, La3+ is bonded in a 4-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.39–2.98 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to six La3+ and six equivalent F1- atoms to form face-sharing FLa6F6 cuboctahedra. All F–F bond lengths are 2.57 Å. In the second F1- site, F1- is bonded in a trigonal planar geometry to three La3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to four La3+ and one F1- atom.},
doi = {10.17188/1192371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}