U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnFeAs by Materials Project
Abstract
MnFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Fe and five As atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Mn–Fe bond lengths. There are one shorter (2.54 Å) and four longer (2.57 Å) Mn–As bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Mn and four As atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-4238
- 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-Fe-Mn; MnFeAs; crystal structure
- OSTI Identifier:
- 1207989
- DOI:
- https://doi.org/10.17188/1207989
Citation Formats
Materials Data on MnFeAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207989.
Materials Data on MnFeAs by Materials Project. United States. doi:https://doi.org/10.17188/1207989
2020.
"Materials Data on MnFeAs by Materials Project". United States. doi:https://doi.org/10.17188/1207989. https://www.osti.gov/servlets/purl/1207989. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1207989,
title = {Materials Data on MnFeAs by Materials Project},
abstractNote = {MnFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Fe and five As atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Mn–Fe bond lengths. There are one shorter (2.54 Å) and four longer (2.57 Å) Mn–As bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Mn and four As atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Fe atoms.},
doi = {10.17188/1207989},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}