U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb3(Co2Sn)4 by Materials Project
Abstract
Tb3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Tb–Co bond distances ranging from 3.06–3.56 Å. There are a spread of Tb–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Tb and four Sn atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Tb, seven Co, and three equivalent Sn atoms to form distorted CoTb2Co7Sn3 cuboctahedra that share corners with four equivalent CoTb2Co7Sn3 cuboctahedra, corners with five equivalent SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.60 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Tb, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å.more »
- Publication Date:
- Other Number(s):
- mp-1208609
- 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-Sn-Tb; Tb3(Co2Sn)4; crystal structure
- OSTI Identifier:
- 1701178
- DOI:
- https://doi.org/10.17188/1701178
Citation Formats
Materials Data on Tb3(Co2Sn)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1701178.
Materials Data on Tb3(Co2Sn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1701178
2020.
"Materials Data on Tb3(Co2Sn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1701178. https://www.osti.gov/servlets/purl/1701178. Pub date:Fri Jun 05 04:00:00 UTC 2020
@article{osti_1701178,
title = {Materials Data on Tb3(Co2Sn)4 by Materials Project},
abstractNote = {Tb3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Tb–Co bond distances ranging from 3.06–3.56 Å. There are a spread of Tb–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Tb and four Sn atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Tb, seven Co, and three equivalent Sn atoms to form distorted CoTb2Co7Sn3 cuboctahedra that share corners with four equivalent CoTb2Co7Sn3 cuboctahedra, corners with five equivalent SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.60 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Tb, 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 2.68–2.81 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 SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Tb and eight Co atoms to form distorted SnTb4Co8 cuboctahedra that share corners with four equivalent SnTb4Co8 cuboctahedra, corners with six CoTb2Co7Sn3 cuboctahedra, faces with eight CoTb2Co7Sn3 cuboctahedra, and faces with eight equivalent SnTb4Co8 cuboctahedra.},
doi = {10.17188/1701178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 05 04:00:00 UTC 2020},
month = {Fri Jun 05 04:00:00 UTC 2020}
}