U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th2CoB10 by Materials Project
Abstract
Th2CoB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to twenty B+1.20- atoms. There are a spread of Th–B bond distances ranging from 2.88–3.03 Å. Co4+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are six shorter (2.11 Å) and two longer (2.14 Å) Co–B bond lengths. There are four inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Th4+, one Co4+, and four B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.69–1.78 Å. In the second B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+ and five B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.67–1.77 Å. In the third B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Th4+, one Co4+, and four B+1.20- atoms. There is one shorter (1.67 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+, one Co4+, and four B+1.20- atoms.
- Publication Date:
- Other Number(s):
- mp-22548
- 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; B-Co-Th; Th2CoB10; crystal structure
- OSTI Identifier:
- 1198781
- DOI:
- https://doi.org/10.17188/1198781
Citation Formats
Materials Data on Th2CoB10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198781.
Materials Data on Th2CoB10 by Materials Project. United States. doi:https://doi.org/10.17188/1198781
2020.
"Materials Data on Th2CoB10 by Materials Project". United States. doi:https://doi.org/10.17188/1198781. https://www.osti.gov/servlets/purl/1198781. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1198781,
title = {Materials Data on Th2CoB10 by Materials Project},
abstractNote = {Th2CoB10 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to twenty B+1.20- atoms. There are a spread of Th–B bond distances ranging from 2.88–3.03 Å. Co4+ is bonded in a 8-coordinate geometry to eight B+1.20- atoms. There are six shorter (2.11 Å) and two longer (2.14 Å) Co–B bond lengths. There are four inequivalent B+1.20- sites. In the first B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Th4+, one Co4+, and four B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.69–1.78 Å. In the second B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+ and five B+1.20- atoms. There are a spread of B–B bond distances ranging from 1.67–1.77 Å. In the third B+1.20- site, B+1.20- is bonded in a 9-coordinate geometry to four equivalent Th4+, one Co4+, and four B+1.20- atoms. There is one shorter (1.67 Å) and one longer (1.77 Å) B–B bond length. In the fourth B+1.20- site, B+1.20- is bonded in a 1-coordinate geometry to four equivalent Th4+, one Co4+, and four B+1.20- atoms.},
doi = {10.17188/1198781},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}