Materials Data on LaF3 by Materials Project
Abstract
LaF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.54 Å) and six longer (2.93 Å) La–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent La3+ and eight equivalent F1- atoms. All F–F bond lengths are 2.54 Å. In the second F1- site, F1- is bonded to four equivalent La3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FLa4F4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-13181
- 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:
- 1189439
- DOI:
- https://doi.org/10.17188/1189439
Citation Formats
The Materials Project. Materials Data on LaF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189439.
The Materials Project. Materials Data on LaF3 by Materials Project. United States. doi:https://doi.org/10.17188/1189439
The Materials Project. 2020.
"Materials Data on LaF3 by Materials Project". United States. doi:https://doi.org/10.17188/1189439. https://www.osti.gov/servlets/purl/1189439. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1189439,
title = {Materials Data on LaF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.54 Å) and six longer (2.93 Å) La–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent La3+ and eight equivalent F1- atoms. All F–F bond lengths are 2.54 Å. In the second F1- site, F1- is bonded to four equivalent La3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FLa4F4 tetrahedra.},
doi = {10.17188/1189439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}
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