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Title: Materials Data on Nd2Fe2Si2C by Materials Project

Abstract

Nd2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.04–3.19 Å. Both Nd–C bond lengths are 2.67 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.30 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Nd3+ and three equivalent Fe3+ atoms. C4- is bonded to four equivalent Nd3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CNd4Fe2 octahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6638
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; Nd2Fe2Si2C; C-Fe-Nd-Si
OSTI Identifier:
1281454
DOI:
10.17188/1281454

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nd2Fe2Si2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281454.
Persson, Kristin, & Project, Materials. Materials Data on Nd2Fe2Si2C by Materials Project. United States. doi:10.17188/1281454.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nd2Fe2Si2C by Materials Project". United States. doi:10.17188/1281454. https://www.osti.gov/servlets/purl/1281454. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281454,
title = {Materials Data on Nd2Fe2Si2C by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nd2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.04–3.19 Å. Both Nd–C bond lengths are 2.67 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.30 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Nd3+ and three equivalent Fe3+ atoms. C4- is bonded to four equivalent Nd3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CNd4Fe2 octahedra.},
doi = {10.17188/1281454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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