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Title: Materials Data on La(FeAs3)4 by Materials Project

Abstract

LaFe4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent As+1.25- atoms to form LaAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All La–As bond lengths are 3.16 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent LaAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–As bond lengths are 2.37 Å. As+1.25- is bonded in a 2-coordinate geometry to one La3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There are one shorter (2.61 Å) and one longer (2.62 Å) As–As bond lengths.

Publication Date:
Other Number(s):
mp-22470
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; La(FeAs3)4; As-Fe-La
OSTI Identifier:
1198374
DOI:
10.17188/1198374

Citation Formats

The Materials Project. Materials Data on La(FeAs3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198374.
The Materials Project. Materials Data on La(FeAs3)4 by Materials Project. United States. doi:10.17188/1198374.
The Materials Project. 2020. "Materials Data on La(FeAs3)4 by Materials Project". United States. doi:10.17188/1198374. https://www.osti.gov/servlets/purl/1198374. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198374,
title = {Materials Data on La(FeAs3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {LaFe4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent As+1.25- atoms to form LaAs12 cuboctahedra that share faces with eight equivalent FeAs6 octahedra. All La–As bond lengths are 3.16 Å. Fe3+ is bonded to six equivalent As+1.25- atoms to form FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra and faces with two equivalent LaAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. All Fe–As bond lengths are 2.37 Å. As+1.25- is bonded in a 2-coordinate geometry to one La3+, two equivalent Fe3+, and two equivalent As+1.25- atoms. There are one shorter (2.61 Å) and one longer (2.62 Å) As–As bond lengths.},
doi = {10.17188/1198374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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