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Title: Materials Data on Mn2FeCoP2 by Materials Project

Abstract

Mn2FeCoP2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.40–2.51 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Fe, four equivalent Co, and five P atoms. There are one shorter (2.70 Å) and one longer (2.71 Å) Mn–Fe bond lengths. There are two shorter (2.66 Å) and two longer (2.68 Å) Mn–Co bond lengths. There are a spread of Mn–P bond distances ranging from 2.42–2.52 Å. Fe is bonded to two equivalent Mn and four P atoms to form distorted corner-sharing FeMn2P4 tetrahedra. There are three shorter (2.20 Å) and one longer (2.23 Å) Fe–P bond lengths. Co is bonded in a 4-coordinate geometry to four equivalent Mn and four P atoms. There are a spread of Co–P bond distances ranging from 2.19–2.24 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Mn, two equivalent Fe, and two equivalent Co atoms. In the second Pmore » site, P is bonded in a 9-coordinate geometry to five Mn, two equivalent Fe, and two equivalent Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1221920
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; Mn2FeCoP2; Co-Fe-Mn-P
OSTI Identifier:
1704970
DOI:
https://doi.org/10.17188/1704970

Citation Formats

The Materials Project. Materials Data on Mn2FeCoP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1704970.
The Materials Project. Materials Data on Mn2FeCoP2 by Materials Project. United States. doi:https://doi.org/10.17188/1704970
The Materials Project. 2020. "Materials Data on Mn2FeCoP2 by Materials Project". United States. doi:https://doi.org/10.17188/1704970. https://www.osti.gov/servlets/purl/1704970. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1704970,
title = {Materials Data on Mn2FeCoP2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2FeCoP2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.40–2.51 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to two equivalent Fe, four equivalent Co, and five P atoms. There are one shorter (2.70 Å) and one longer (2.71 Å) Mn–Fe bond lengths. There are two shorter (2.66 Å) and two longer (2.68 Å) Mn–Co bond lengths. There are a spread of Mn–P bond distances ranging from 2.42–2.52 Å. Fe is bonded to two equivalent Mn and four P atoms to form distorted corner-sharing FeMn2P4 tetrahedra. There are three shorter (2.20 Å) and one longer (2.23 Å) Fe–P bond lengths. Co is bonded in a 4-coordinate geometry to four equivalent Mn and four P atoms. There are a spread of Co–P bond distances ranging from 2.19–2.24 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Mn, two equivalent Fe, and two equivalent Co atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Mn, two equivalent Fe, and two equivalent Co atoms.},
doi = {10.17188/1704970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}