DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Lu2FeSi4 by Materials Project

Abstract

Lu2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Lu–Si bond distances ranging from 2.97–3.24 Å. In the second Lu3+ site, Lu3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Lu–Si bond distances ranging from 3.01–3.17 Å. Fe2+ is bonded to four Si2- atoms to form distorted corner-sharing FeSi4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.19 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to five Lu3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.43 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to five Lu3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.39 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to six Lu3+ and three Si2- atoms. Both Si–Si bond lengths are 2.35 Å. In the fourth Si2- site, Si2- is bonded inmore » a 9-coordinate geometry to six Lu3+ and three Si2- atoms.« less

Publication Date:
Other Number(s):
mp-1222308
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; Lu2FeSi4; Fe-Lu-Si
OSTI Identifier:
1652236
DOI:
https://doi.org/10.17188/1652236

Citation Formats

The Materials Project. Materials Data on Lu2FeSi4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652236.
The Materials Project. Materials Data on Lu2FeSi4 by Materials Project. United States. doi:https://doi.org/10.17188/1652236
The Materials Project. 2019. "Materials Data on Lu2FeSi4 by Materials Project". United States. doi:https://doi.org/10.17188/1652236. https://www.osti.gov/servlets/purl/1652236. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652236,
title = {Materials Data on Lu2FeSi4 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2FeSi4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Lu–Si bond distances ranging from 2.97–3.24 Å. In the second Lu3+ site, Lu3+ is bonded in a 11-coordinate geometry to eleven Si2- atoms. There are a spread of Lu–Si bond distances ranging from 3.01–3.17 Å. Fe2+ is bonded to four Si2- atoms to form distorted corner-sharing FeSi4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.19 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 2-coordinate geometry to five Lu3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.43 Å. In the second Si2- site, Si2- is bonded in a 2-coordinate geometry to five Lu3+, two equivalent Fe2+, and one Si2- atom. The Si–Si bond length is 2.39 Å. In the third Si2- site, Si2- is bonded in a 9-coordinate geometry to six Lu3+ and three Si2- atoms. Both Si–Si bond lengths are 2.35 Å. In the fourth Si2- site, Si2- is bonded in a 9-coordinate geometry to six Lu3+ and three Si2- atoms.},
doi = {10.17188/1652236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}