U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Lu4CoB13 by Materials Project
Abstract
Lu4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Lu–B bond distances ranging from 2.52–2.86 Å. Co3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.13 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Lu3+, one Co3+, and four B+1.15- atoms. There are a spread of B–B bond distances ranging from 1.76–2.08 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Lu3+ and three B+1.15- atoms. The B–B bond length is 1.83 Å. In the third B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Lu3+ and eight equivalent B+1.15- atoms.
- Publication Date:
- Other Number(s):
- mp-20518
- 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-Lu; Lu4CoB13; crystal structure
- OSTI Identifier:
- 1195649
- DOI:
- https://doi.org/10.17188/1195649
Citation Formats
Materials Data on Lu4CoB13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195649.
Materials Data on Lu4CoB13 by Materials Project. United States. doi:https://doi.org/10.17188/1195649
2020.
"Materials Data on Lu4CoB13 by Materials Project". United States. doi:https://doi.org/10.17188/1195649. https://www.osti.gov/servlets/purl/1195649. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1195649,
title = {Materials Data on Lu4CoB13 by Materials Project},
abstractNote = {Lu4CoB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Lu–B bond distances ranging from 2.52–2.86 Å. Co3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Co–B bond lengths are 2.13 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Lu3+, one Co3+, and four B+1.15- atoms. There are a spread of B–B bond distances ranging from 1.76–2.08 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Lu3+ and three B+1.15- atoms. The B–B bond length is 1.83 Å. In the third B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Lu3+ and eight equivalent B+1.15- atoms.},
doi = {10.17188/1195649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}