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Title: Materials Data on LaFeSi2 by Materials Project

Abstract

LaFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.17 Å) and two longer (3.20 Å) La–Fe bond lengths. There are a spread of La–Si bond distances ranging from 3.14–3.24 Å. Fe is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Si atoms. There are two shorter (2.27 Å) and two longer (2.32 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Fe, and one Si atom. The Si–Si bond length is 2.61 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three Si atoms. Both Si–Si bond lengths are 2.40 Å.

Publication Date:
Other Number(s):
mp-1080643
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; LaFeSi2; Fe-La-Si
OSTI Identifier:
1664064
DOI:
https://doi.org/10.17188/1664064

Citation Formats

The Materials Project. Materials Data on LaFeSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664064.
The Materials Project. Materials Data on LaFeSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1664064
The Materials Project. 2020. "Materials Data on LaFeSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1664064. https://www.osti.gov/servlets/purl/1664064. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1664064,
title = {Materials Data on LaFeSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {LaFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.17 Å) and two longer (3.20 Å) La–Fe bond lengths. There are a spread of La–Si bond distances ranging from 3.14–3.24 Å. Fe is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Si atoms. There are two shorter (2.27 Å) and two longer (2.32 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Fe, and one Si atom. The Si–Si bond length is 2.61 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three Si atoms. Both Si–Si bond lengths are 2.40 Å.},
doi = {10.17188/1664064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}