U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErMn2 by Materials Project
Abstract
ErMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Er–Er bond distances ranging from 3.07–3.22 Å. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are one shorter (3.21 Å) and two longer (3.22 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.54 Å. In the second Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.53 Å) and four longer (2.54 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bondedmore »
- Publication Date:
- Other Number(s):
- mp-11855
- 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; crystal structure; Er-Mn; ErMn2
- OSTI Identifier:
- 1188435
- DOI:
- https://doi.org/10.17188/1188435
Citation Formats
Materials Data on ErMn2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1188435.
Materials Data on ErMn2 by Materials Project. United States. doi:https://doi.org/10.17188/1188435
2017.
"Materials Data on ErMn2 by Materials Project". United States. doi:https://doi.org/10.17188/1188435. https://www.osti.gov/servlets/purl/1188435. Pub date:Tue May 09 20:00:00 EDT 2017
@article{osti_1188435,
title = {Materials Data on ErMn2 by Materials Project},
abstractNote = {ErMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Er–Er bond distances ranging from 3.07–3.22 Å. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are one shorter (3.21 Å) and two longer (3.22 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.92–3.11 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.54 Å. In the second Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.53 Å) and four longer (2.54 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.63 Å) and two longer (2.68 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of edge, face, and corner-sharing MnEr6Mn6 cuboctahedra. There are one shorter (2.65 Å) and one longer (2.67 Å) Mn–Mn bond lengths.},
doi = {10.17188/1188435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}