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

Title: Materials Data on MnFeAs by Materials Project

Abstract

MnFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn is bonded in a 9-coordinate geometry to four equivalent Fe and five equivalent As atoms. All Mn–Fe bond lengths are 2.66 Å. There are one shorter (2.53 Å) and four longer (2.66 Å) Mn–As bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Mn, four equivalent Fe, and four equivalent As atoms. All Fe–Fe bond lengths are 2.63 Å. All Fe–As bond lengths are 2.38 Å. As is bonded in a 9-coordinate geometry to five equivalent Mn and four equivalent Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-505803
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; MnFeAs; As-Fe-Mn
OSTI Identifier:
1262765
DOI:
https://doi.org/10.17188/1262765

Citation Formats

The Materials Project. Materials Data on MnFeAs by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1262765.
The Materials Project. Materials Data on MnFeAs by Materials Project. United States. doi:https://doi.org/10.17188/1262765
The Materials Project. 2017. "Materials Data on MnFeAs by Materials Project". United States. doi:https://doi.org/10.17188/1262765. https://www.osti.gov/servlets/purl/1262765. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1262765,
title = {Materials Data on MnFeAs by Materials Project},
author = {The Materials Project},
abstractNote = {MnFeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn is bonded in a 9-coordinate geometry to four equivalent Fe and five equivalent As atoms. All Mn–Fe bond lengths are 2.66 Å. There are one shorter (2.53 Å) and four longer (2.66 Å) Mn–As bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Mn, four equivalent Fe, and four equivalent As atoms. All Fe–Fe bond lengths are 2.63 Å. All Fe–As bond lengths are 2.38 Å. As is bonded in a 9-coordinate geometry to five equivalent Mn and four equivalent Fe atoms.},
doi = {10.17188/1262765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}