U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErMg2 by Materials Project
Abstract
ErMg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Er bond lengths are 3.53 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. There are two shorter (2.93 Å) and two longer (3.09 Å) Mg–Mg bond lengths. There are two shorter (3.50 Å) and four longer (3.52 Å) Mg–Er bond lengths. Er is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Er atoms. There are one shorter (3.64 Å) and three longer (3.69 Å) Er–Er bond lengths.
- Publication Date:
- Other Number(s):
- mp-30607
- 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; Er-Mg; ErMg2; crystal structure
- OSTI Identifier:
- 1204993
- DOI:
- https://doi.org/10.17188/1204993
Citation Formats
Materials Data on ErMg2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204993.
Materials Data on ErMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1204993
2020.
"Materials Data on ErMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1204993. https://www.osti.gov/servlets/purl/1204993. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204993,
title = {Materials Data on ErMg2 by Materials Project},
abstractNote = {ErMg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Er bond lengths are 3.53 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Er atoms to form a mixture of corner, edge, and face-sharing MgEr6Mg6 cuboctahedra. There are two shorter (2.93 Å) and two longer (3.09 Å) Mg–Mg bond lengths. There are two shorter (3.50 Å) and four longer (3.52 Å) Mg–Er bond lengths. Er is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Er atoms. There are one shorter (3.64 Å) and three longer (3.69 Å) Er–Er bond lengths.},
doi = {10.17188/1204993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}