U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmEr3Mn8 by Materials Project
Abstract
Er3SmMn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to one Er, three equivalent Sm, and twelve Mn atoms. The Er–Er bond length is 3.16 Å. All Er–Sm bond lengths are 3.13 Å. There are a spread of Er–Mn bond distances ranging from 2.95–3.13 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 (3.11 Å) and two longer (3.13 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.95–3.06 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to three equivalent Er, one Sm, and twelve Mn atoms. The Er–Sm bond length is 3.20 Å. There are a spread of Er–Mn bond distances ranging from 2.95–3.04 Å. Sm is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Sm–Mn bond distances ranging from 2.95–3.11 Å. There are six inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalentmore »
- Publication Date:
- Other Number(s):
- mp-1219121
- 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-Mn-Sm; SmEr3Mn8; crystal structure
- OSTI Identifier:
- 1711572
- DOI:
- https://doi.org/10.17188/1711572
Citation Formats
Materials Data on SmEr3Mn8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711572.
Materials Data on SmEr3Mn8 by Materials Project. United States. doi:https://doi.org/10.17188/1711572
2019.
"Materials Data on SmEr3Mn8 by Materials Project". United States. doi:https://doi.org/10.17188/1711572. https://www.osti.gov/servlets/purl/1711572. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1711572,
title = {Materials Data on SmEr3Mn8 by Materials Project},
abstractNote = {Er3SmMn8 is Hexagonal Laves-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to one Er, three equivalent Sm, and twelve Mn atoms. The Er–Er bond length is 3.16 Å. All Er–Sm bond lengths are 3.13 Å. There are a spread of Er–Mn bond distances ranging from 2.95–3.13 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 (3.11 Å) and two longer (3.13 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.95–3.06 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to three equivalent Er, one Sm, and twelve Mn atoms. The Er–Sm bond length is 3.20 Å. There are a spread of Er–Mn bond distances ranging from 2.95–3.04 Å. Sm is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Sm–Mn bond distances ranging from 2.95–3.11 Å. There are six inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Er, three equivalent Sm, and six Mn atoms to form MnSm3Er3Mn6 cuboctahedra that share corners with twelve MnSm2Er4Mn6 cuboctahedra, edges with six equivalent MnSm3Er3Mn6 cuboctahedra, and faces with twenty MnEr6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.62–2.66 Å. In the second Mn site, Mn is bonded to six Er and six Mn atoms to form MnEr6Mn6 cuboctahedra that share corners with twelve MnSm2Er4Mn6 cuboctahedra, edges with six equivalent MnEr6Mn6 cuboctahedra, and faces with twenty MnSm3Er3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.56–2.60 Å. In the third Mn site, Mn is bonded to four Er, two equivalent Sm, and six Mn atoms to form MnSm2Er4Mn6 cuboctahedra that share corners with eighteen MnSm3Er3Mn6 cuboctahedra, edges with six MnSm2Er4Mn6 cuboctahedra, and faces with eighteen MnSm3Er3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.48–2.56 Å. In the fourth Mn site, Mn is bonded to four Er, two equivalent Sm, and six Mn atoms to form MnSm2Er4Mn6 cuboctahedra that share corners with eighteen MnSm3Er3Mn6 cuboctahedra, edges with six MnSm2Er4Mn6 cuboctahedra, and faces with eighteen MnSm3Er3Mn6 cuboctahedra. In the fifth Mn site, Mn is bonded to five Er, one Sm, and six Mn atoms to form MnSmEr5Mn6 cuboctahedra that share corners with eighteen MnSm3Er3Mn6 cuboctahedra, edges with six MnSm2Er4Mn6 cuboctahedra, and faces with eighteen MnSm3Er3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.48–2.56 Å. In the sixth Mn site, Mn is bonded to five Er, one Sm, and six Mn atoms to form MnSmEr5Mn6 cuboctahedra that share corners with eighteen MnSm3Er3Mn6 cuboctahedra, edges with six MnSm2Er4Mn6 cuboctahedra, and faces with eighteen MnSm3Er3Mn6 cuboctahedra.},
doi = {10.17188/1711572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}