U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb2B4C by Materials Project
Abstract
Tb2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb4+ is bonded in a 2-coordinate geometry to six equivalent B+1.50- and two equivalent C2- atoms. There are four shorter (2.75 Å) and two longer (2.99 Å) Tb–B bond lengths. Both Tb–C bond lengths are 2.43 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to six equivalent Tb4+ and three B+1.50- atoms. There is one shorter (1.78 Å) and two longer (1.88 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a single-bond geometry to two equivalent B+1.50- and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Tb4+ and two equivalent B+1.50- atoms to form distorted edge-sharing CTb4B2 octahedra.
- Publication Date:
- Other Number(s):
- mp-1025379
- 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-C-Tb; Tb2B4C; crystal structure
- OSTI Identifier:
- 1355546
- DOI:
- https://doi.org/10.17188/1355546
Citation Formats
Materials Data on Tb2B4C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355546.
Materials Data on Tb2B4C by Materials Project. United States. doi:https://doi.org/10.17188/1355546
2020.
"Materials Data on Tb2B4C by Materials Project". United States. doi:https://doi.org/10.17188/1355546. https://www.osti.gov/servlets/purl/1355546. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1355546,
title = {Materials Data on Tb2B4C by Materials Project},
abstractNote = {Tb2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb4+ is bonded in a 2-coordinate geometry to six equivalent B+1.50- and two equivalent C2- atoms. There are four shorter (2.75 Å) and two longer (2.99 Å) Tb–B bond lengths. Both Tb–C bond lengths are 2.43 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to six equivalent Tb4+ and three B+1.50- atoms. There is one shorter (1.78 Å) and two longer (1.88 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a single-bond geometry to two equivalent B+1.50- and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Tb4+ and two equivalent B+1.50- atoms to form distorted edge-sharing CTb4B2 octahedra.},
doi = {10.17188/1355546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}