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Title: Materials Data on NdFeSi2 by Materials Project

Abstract

NdFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.15 Å) and two longer (3.16 Å) Nd–Fe bond lengths. There are a spread of Nd–Si bond distances ranging from 3.10–3.20 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Si atoms. There are two shorter (2.26 Å) and two longer (2.30 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 Nd, four equivalent Fe, and one Si atom. The Si–Si bond length is 2.55 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. Both Si–Si bond lengths are 2.39 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4196
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; NdFeSi2; Fe-Nd-Si
OSTI Identifier:
1207950
DOI:
10.17188/1207950

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NdFeSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207950.
Persson, Kristin, & Project, Materials. Materials Data on NdFeSi2 by Materials Project. United States. doi:10.17188/1207950.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NdFeSi2 by Materials Project". United States. doi:10.17188/1207950. https://www.osti.gov/servlets/purl/1207950. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207950,
title = {Materials Data on NdFeSi2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NdFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.15 Å) and two longer (3.16 Å) Nd–Fe bond lengths. There are a spread of Nd–Si bond distances ranging from 3.10–3.20 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Si atoms. There are two shorter (2.26 Å) and two longer (2.30 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 Nd, four equivalent Fe, and one Si atom. The Si–Si bond length is 2.55 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. Both Si–Si bond lengths are 2.39 Å.},
doi = {10.17188/1207950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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