U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tm3(Co2Sn)4 by Materials Project
Abstract
Tm3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Tm–Co bond distances ranging from 3.01–3.37 Å. There are a spread of Tm–Sn bond distances ranging from 3.15–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Tm 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 Tm, seven Co, and three equivalent Sn atoms to form distorted CoTm2Co7Sn3 cuboctahedra that share corners with four equivalent CoTm2Co7Sn3 cuboctahedra, corners with five equivalent SnTm4Co8 cuboctahedra, faces with six equivalent SnTm4Co8 cuboctahedra, and faces with eight CoTm2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.63 Å. There are one shorter (2.62 Å) and two longer (2.65 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Tm, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208089
- 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; Tm3(Co2Sn)4; Co-Sn-Tm
- OSTI Identifier:
- 1687030
- DOI:
- https://doi.org/10.17188/1687030
Citation Formats
The Materials Project. Materials Data on Tm3(Co2Sn)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1687030.
The Materials Project. Materials Data on Tm3(Co2Sn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1687030
The Materials Project. 2019.
"Materials Data on Tm3(Co2Sn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1687030. https://www.osti.gov/servlets/purl/1687030. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687030,
title = {Materials Data on Tm3(Co2Sn)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Tm–Co bond distances ranging from 3.01–3.37 Å. There are a spread of Tm–Sn bond distances ranging from 3.15–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Tm 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 Tm, seven Co, and three equivalent Sn atoms to form distorted CoTm2Co7Sn3 cuboctahedra that share corners with four equivalent CoTm2Co7Sn3 cuboctahedra, corners with five equivalent SnTm4Co8 cuboctahedra, faces with six equivalent SnTm4Co8 cuboctahedra, and faces with eight CoTm2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.63 Å. There are one shorter (2.62 Å) and two longer (2.65 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Tm, 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 2.63–2.77 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 SnTm4Co8 cuboctahedra, faces with six equivalent SnTm4Co8 cuboctahedra, and faces with eight CoTm2Co7Sn3 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 Tm and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Tm and eight Co atoms to form distorted SnTm4Co8 cuboctahedra that share corners with four equivalent SnTm4Co8 cuboctahedra, corners with six CoTm2Co7Sn3 cuboctahedra, faces with eight CoTm2Co7Sn3 cuboctahedra, and faces with eight equivalent SnTm4Co8 cuboctahedra.},
doi = {10.17188/1687030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}