U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrEr3Mn8 by Materials Project
Abstract
Er3PrMn8 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 Pr, and twelve Mn atoms. The Er–Er bond length is 3.20 Å. There are one shorter (3.22 Å) and two longer (3.29 Å) Er–Pr bond lengths. There are a spread of Er–Mn bond distances ranging from 3.09–3.18 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 (3.23 Å) and two longer (3.25 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.99–3.14 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to three equivalent Er, one Pr, and twelve Mn atoms. The Er–Pr bond length is 3.25 Å. There are a spread of Er–Mn bond distances ranging from 2.96–3.14 Å. Pr is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 3.09–3.16 Å. There are six inequivalent Mn sites. In the first Mnmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1220169
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; PrEr3Mn8; Er-Mn-Pr
- OSTI Identifier:
- 1672601
- DOI:
- https://doi.org/10.17188/1672601
Citation Formats
The Materials Project. Materials Data on PrEr3Mn8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1672601.
The Materials Project. Materials Data on PrEr3Mn8 by Materials Project. United States. doi:https://doi.org/10.17188/1672601
The Materials Project. 2019.
"Materials Data on PrEr3Mn8 by Materials Project". United States. doi:https://doi.org/10.17188/1672601. https://www.osti.gov/servlets/purl/1672601. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672601,
title = {Materials Data on PrEr3Mn8 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3PrMn8 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 Pr, and twelve Mn atoms. The Er–Er bond length is 3.20 Å. There are one shorter (3.22 Å) and two longer (3.29 Å) Er–Pr bond lengths. There are a spread of Er–Mn bond distances ranging from 3.09–3.18 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 (3.23 Å) and two longer (3.25 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.99–3.14 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to three equivalent Er, one Pr, and twelve Mn atoms. The Er–Pr bond length is 3.25 Å. There are a spread of Er–Mn bond distances ranging from 2.96–3.14 Å. Pr is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 3.09–3.16 Å. There are six inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Er, three equivalent Pr, and six Mn atoms to form MnPr3Er3Mn6 cuboctahedra that share corners with twelve MnPr2Er4Mn6 cuboctahedra, edges with six equivalent MnPr3Er3Mn6 cuboctahedra, and faces with twenty MnEr6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.65–2.71 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 MnPr2Er4Mn6 cuboctahedra, edges with six equivalent MnEr6Mn6 cuboctahedra, and faces with twenty MnPr3Er3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.55–2.69 Å. In the third Mn site, Mn is bonded to four Er, two equivalent Pr, and six Mn atoms to form MnPr2Er4Mn6 cuboctahedra that share corners with eighteen MnPr3Er3Mn6 cuboctahedra, edges with six MnPr2Er4Mn6 cuboctahedra, and faces with eighteen MnPr3Er3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.61–2.75 Å. In the fourth Mn site, Mn is bonded to four Er, two equivalent Pr, and six Mn atoms to form MnPr2Er4Mn6 cuboctahedra that share corners with eighteen MnPr3Er3Mn6 cuboctahedra, edges with six MnPr2Er4Mn6 cuboctahedra, and faces with eighteen MnPr3Er3Mn6 cuboctahedra. In the fifth Mn site, Mn is bonded to five Er, one Pr, and six Mn atoms to form MnPrEr5Mn6 cuboctahedra that share corners with eighteen MnPr3Er3Mn6 cuboctahedra, edges with six MnPr2Er4Mn6 cuboctahedra, and faces with eighteen MnPr3Er3Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.62–2.75 Å. In the sixth Mn site, Mn is bonded to five Er, one Pr, and six Mn atoms to form MnPrEr5Mn6 cuboctahedra that share corners with eighteen MnPr3Er3Mn6 cuboctahedra, edges with six MnPr2Er4Mn6 cuboctahedra, and faces with eighteen MnPr3Er3Mn6 cuboctahedra.},
doi = {10.17188/1672601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}