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Title: Materials Data on LaF3 by Materials Project

Abstract

LaF3 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to twelve F1- atoms to form a mixture of face, edge, and corner-sharing LaF12 cuboctahedra. There are a spread of La–F bond distances ranging from 2.53–2.79 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of La–F bond distances ranging from 2.37–2.92 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing FLa4 tetrahedra. In the second F1- site, F1- is bonded in a 12-coordinate geometry to four La3+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent La3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to four La3+ atoms.

Publication Date:
Other Number(s):
mp-557870
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaF3; F-La
OSTI Identifier:
1270056
DOI:
10.17188/1270056

Citation Formats

The Materials Project. Materials Data on LaF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270056.
The Materials Project. Materials Data on LaF3 by Materials Project. United States. doi:10.17188/1270056.
The Materials Project. 2020. "Materials Data on LaF3 by Materials Project". United States. doi:10.17188/1270056. https://www.osti.gov/servlets/purl/1270056. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1270056,
title = {Materials Data on LaF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaF3 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to twelve F1- atoms to form a mixture of face, edge, and corner-sharing LaF12 cuboctahedra. There are a spread of La–F bond distances ranging from 2.53–2.79 Å. In the second La3+ site, La3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of La–F bond distances ranging from 2.37–2.92 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing FLa4 tetrahedra. In the second F1- site, F1- is bonded in a 12-coordinate geometry to four La3+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent La3+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to four La3+ atoms.},
doi = {10.17188/1270056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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