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Title: Materials Data on LaFe8Si5 by Materials Project

Abstract

LaFe8Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.22 Å. There are two inequivalent Fe+2.12+ sites. In the first Fe+2.12+ site, Fe+2.12+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.35–2.46 Å. In the second Fe+2.12+ site, Fe+2.12+ is bonded in a 9-coordinate geometry to two equivalent Fe+2.12+ and five Si4- atoms. Both Fe–Fe bond lengths are 2.36 Å. There are a spread of Fe–Si bond distances ranging from 2.40–2.58 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to two equivalent La3+, eight Fe+2.12+, and one Si4- atom. The Si–Si bond length is 2.52 Å. In the second Si4- site, Si4- is bonded in a cuboctahedral geometry to eight Fe+2.12+ and four equivalent Si4- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1211378
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; LaFe8Si5; Fe-La-Si
OSTI Identifier:
1738424
DOI:
https://doi.org/10.17188/1738424

Citation Formats

The Materials Project. Materials Data on LaFe8Si5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738424.
The Materials Project. Materials Data on LaFe8Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1738424
The Materials Project. 2020. "Materials Data on LaFe8Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1738424. https://www.osti.gov/servlets/purl/1738424. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738424,
title = {Materials Data on LaFe8Si5 by Materials Project},
author = {The Materials Project},
abstractNote = {LaFe8Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.22 Å. There are two inequivalent Fe+2.12+ sites. In the first Fe+2.12+ site, Fe+2.12+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Fe–Si bond distances ranging from 2.35–2.46 Å. In the second Fe+2.12+ site, Fe+2.12+ is bonded in a 9-coordinate geometry to two equivalent Fe+2.12+ and five Si4- atoms. Both Fe–Fe bond lengths are 2.36 Å. There are a spread of Fe–Si bond distances ranging from 2.40–2.58 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to two equivalent La3+, eight Fe+2.12+, and one Si4- atom. The Si–Si bond length is 2.52 Å. In the second Si4- site, Si4- is bonded in a cuboctahedral geometry to eight Fe+2.12+ and four equivalent Si4- atoms.},
doi = {10.17188/1738424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}