U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Co-Mn; Mn2CoAs; crystal structure
- OSTI Identifier:
- 1349827
- DOI:
- https://doi.org/10.17188/1349827
Citation Formats
Materials Data on Mn2CoAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349827.
Materials Data on Mn2CoAs by Materials Project. United States. doi:https://doi.org/10.17188/1349827
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},
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}
}