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Title: Materials Data on CrFe3N by Materials Project

Abstract

CrFe3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Fe atoms to form CrFe12 cuboctahedra that share corners with twelve equivalent CrFe12 cuboctahedra, faces with six equivalent CrFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. All Cr–Fe bond lengths are 2.69 Å. Fe is bonded in a linear geometry to four equivalent Cr and two equivalent N atoms. Both Fe–N bond lengths are 1.90 Å. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent CrFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1206130
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; CrFe3N; Cr-Fe-N
OSTI Identifier:
1704923
DOI:
https://doi.org/10.17188/1704923

Citation Formats

The Materials Project. Materials Data on CrFe3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1704923.
The Materials Project. Materials Data on CrFe3N by Materials Project. United States. doi:https://doi.org/10.17188/1704923
The Materials Project. 2020. "Materials Data on CrFe3N by Materials Project". United States. doi:https://doi.org/10.17188/1704923. https://www.osti.gov/servlets/purl/1704923. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1704923,
title = {Materials Data on CrFe3N by Materials Project},
author = {The Materials Project},
abstractNote = {CrFe3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Fe atoms to form CrFe12 cuboctahedra that share corners with twelve equivalent CrFe12 cuboctahedra, faces with six equivalent CrFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. All Cr–Fe bond lengths are 2.69 Å. Fe is bonded in a linear geometry to four equivalent Cr and two equivalent N atoms. Both Fe–N bond lengths are 1.90 Å. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent CrFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1704923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}