U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiCrB4 by Materials Project
Abstract
TiCrB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent B+1.50- atoms to form TiB12 cuboctahedra that share edges with twelve equivalent CrB12 cuboctahedra, faces with two equivalent CrB12 cuboctahedra, and faces with six equivalent TiB12 cuboctahedra. All Ti–B bond lengths are 2.36 Å. Cr2+ is bonded to twelve equivalent B+1.50- atoms to form CrB12 cuboctahedra that share edges with twelve equivalent TiB12 cuboctahedra, faces with two equivalent TiB12 cuboctahedra, and faces with six equivalent CrB12 cuboctahedra. All Cr–B bond lengths are 2.28 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ti4+, three equivalent Cr2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.
- Publication Date:
- Other Number(s):
- mp-1216966
- 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-Cr-Ti; TiCrB4; crystal structure
- OSTI Identifier:
- 1674839
- DOI:
- https://doi.org/10.17188/1674839
Citation Formats
Materials Data on TiCrB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1674839.
Materials Data on TiCrB4 by Materials Project. United States. doi:https://doi.org/10.17188/1674839
2020.
"Materials Data on TiCrB4 by Materials Project". United States. doi:https://doi.org/10.17188/1674839. https://www.osti.gov/servlets/purl/1674839. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674839,
title = {Materials Data on TiCrB4 by Materials Project},
abstractNote = {TiCrB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent B+1.50- atoms to form TiB12 cuboctahedra that share edges with twelve equivalent CrB12 cuboctahedra, faces with two equivalent CrB12 cuboctahedra, and faces with six equivalent TiB12 cuboctahedra. All Ti–B bond lengths are 2.36 Å. Cr2+ is bonded to twelve equivalent B+1.50- atoms to form CrB12 cuboctahedra that share edges with twelve equivalent TiB12 cuboctahedra, faces with two equivalent TiB12 cuboctahedra, and faces with six equivalent CrB12 cuboctahedra. All Cr–B bond lengths are 2.28 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ti4+, three equivalent Cr2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.},
doi = {10.17188/1674839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}