U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er3(Co2Sn)4 by Materials Project
Abstract
Er3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Er–Co bond distances ranging from 3.02–3.37 Å. There are a spread of Er–Sn bond distances ranging from 3.15–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Er and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.63 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Er, seven Co, and three equivalent Sn atoms to form distorted CoEr2Co7Sn3 cuboctahedra that share corners with four equivalent CoEr2Co7Sn3 cuboctahedra, corners with five equivalent SnEr4Co8 cuboctahedra, faces with six equivalent SnEr4Co8 cuboctahedra, and faces with eight CoEr2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.62 Å. There are one shorter (2.62 Å) and two longer (2.64 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Er, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å.more »
- Publication Date:
- Other Number(s):
- mp-1213031
- 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; Co-Er-Sn; Er3(Co2Sn)4; crystal structure
- OSTI Identifier:
- 1705910
- DOI:
- https://doi.org/10.17188/1705910
Citation Formats
Materials Data on Er3(Co2Sn)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1705910.
Materials Data on Er3(Co2Sn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1705910
2019.
"Materials Data on Er3(Co2Sn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1705910. https://www.osti.gov/servlets/purl/1705910. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1705910,
title = {Materials Data on Er3(Co2Sn)4 by Materials Project},
abstractNote = {Er3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Er–Co bond distances ranging from 3.02–3.37 Å. There are a spread of Er–Sn bond distances ranging from 3.15–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Er and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.63 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Er, seven Co, and three equivalent Sn atoms to form distorted CoEr2Co7Sn3 cuboctahedra that share corners with four equivalent CoEr2Co7Sn3 cuboctahedra, corners with five equivalent SnEr4Co8 cuboctahedra, faces with six equivalent SnEr4Co8 cuboctahedra, and faces with eight CoEr2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.62 Å. There are one shorter (2.62 Å) and two longer (2.64 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Er, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å. There are a spread of Co–Sn bond distances ranging from 2.64–2.78 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnEr4Co8 cuboctahedra, faces with six equivalent SnEr4Co8 cuboctahedra, and faces with eight CoEr2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Er and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Er and eight Co atoms to form distorted SnEr4Co8 cuboctahedra that share corners with four equivalent SnEr4Co8 cuboctahedra, corners with six CoEr2Co7Sn3 cuboctahedra, faces with eight CoEr2Co7Sn3 cuboctahedra, and faces with eight equivalent SnEr4Co8 cuboctahedra.},
doi = {10.17188/1705910},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}