U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMnFe by Materials Project
Abstract
YFeMn crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, six equivalent Mn, and six equivalent Fe atoms. There are two shorter (3.15 Å) and two longer (3.16 Å) Y–Y bond lengths. There are four shorter (3.00 Å) and two longer (3.04 Å) Y–Mn bond lengths. There are two shorter (3.00 Å) and four longer (3.04 Å) Y–Fe bond lengths. Mn is bonded to six equivalent Y, two equivalent Mn, and four equivalent Fe atoms to form MnY6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeY6Mn4Fe2 cuboctahedra, corners with ten equivalent MnY6Mn2Fe4 cuboctahedra, edges with six equivalent MnY6Mn2Fe4 cuboctahedra, faces with six equivalent MnY6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeY6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.61 Å. All Mn–Fe bond lengths are 2.58 Å. Fe is bonded to six equivalent Y, four equivalent Mn, and two equivalent Fe atoms to form FeY6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnY6Mn2Fe4 cuboctahedra, corners with ten equivalent FeY6Mn4Fe2 cuboctahedra, edges with six equivalent FeY6Mn4Fe2 cuboctahedra, faces with six equivalent FeY6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnY6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.55 Å.
- Publication Date:
- Other Number(s):
- mp-1215943
- 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; Fe-Mn-Y; YMnFe; crystal structure
- OSTI Identifier:
- 1688253
- DOI:
- https://doi.org/10.17188/1688253
Citation Formats
Materials Data on YMnFe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688253.
Materials Data on YMnFe by Materials Project. United States. doi:https://doi.org/10.17188/1688253
2020.
"Materials Data on YMnFe by Materials Project". United States. doi:https://doi.org/10.17188/1688253. https://www.osti.gov/servlets/purl/1688253. Pub date:Fri Jun 05 04:00:00 UTC 2020
@article{osti_1688253,
title = {Materials Data on YMnFe by Materials Project},
abstractNote = {YFeMn crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, six equivalent Mn, and six equivalent Fe atoms. There are two shorter (3.15 Å) and two longer (3.16 Å) Y–Y bond lengths. There are four shorter (3.00 Å) and two longer (3.04 Å) Y–Mn bond lengths. There are two shorter (3.00 Å) and four longer (3.04 Å) Y–Fe bond lengths. Mn is bonded to six equivalent Y, two equivalent Mn, and four equivalent Fe atoms to form MnY6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeY6Mn4Fe2 cuboctahedra, corners with ten equivalent MnY6Mn2Fe4 cuboctahedra, edges with six equivalent MnY6Mn2Fe4 cuboctahedra, faces with six equivalent MnY6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeY6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.61 Å. All Mn–Fe bond lengths are 2.58 Å. Fe is bonded to six equivalent Y, four equivalent Mn, and two equivalent Fe atoms to form FeY6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnY6Mn2Fe4 cuboctahedra, corners with ten equivalent FeY6Mn4Fe2 cuboctahedra, edges with six equivalent FeY6Mn4Fe2 cuboctahedra, faces with six equivalent FeY6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnY6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.55 Å.},
doi = {10.17188/1688253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}