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Title: Materials Data on Mn2CoAs by Materials Project

Abstract

Mn2CoAs crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent As atoms to form distorted edge-sharing MnMn4As4 tetrahedra. All Mn–Mn bond lengths are 2.49 Å. All Mn–As bond lengths are 2.49 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent As atoms. All Mn–Co bond lengths are 2.49 Å. All Mn–As bond lengths are 2.87 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent As atoms. All Co–As bond lengths are 2.49 Å. As is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.

Publication Date:
Other Number(s):
mp-1017515
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; Mn2CoAs; As-Co-Mn
OSTI Identifier:
1349827
DOI:
https://doi.org/10.17188/1349827

Citation Formats

The Materials Project. Materials Data on Mn2CoAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349827.
The Materials Project. Materials Data on Mn2CoAs by Materials Project. United States. doi:https://doi.org/10.17188/1349827
The Materials Project. 2020. "Materials Data on Mn2CoAs by Materials Project". United States. doi:https://doi.org/10.17188/1349827. https://www.osti.gov/servlets/purl/1349827. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1349827,
title = {Materials Data on Mn2CoAs by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2CoAs crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent As atoms to form distorted edge-sharing MnMn4As4 tetrahedra. All Mn–Mn bond lengths are 2.49 Å. All Mn–As bond lengths are 2.49 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent As atoms. All Mn–Co bond lengths are 2.49 Å. All Mn–As bond lengths are 2.87 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent As atoms. All Co–As bond lengths are 2.49 Å. As is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.},
doi = {10.17188/1349827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}