U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on B4MoRu2 by Materials Project
Abstract
MoRu2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.42 Å) and four longer (2.55 Å) Mo–B bond lengths. Ru2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.21–2.29 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to two equivalent Mo2+, five equivalent Ru2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.82 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Ru2+, and three B+1.50- atoms. The B–B bond length is 1.85 Å.
- Publication Date:
- Other Number(s):
- mp-1228655
- 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-Mo-Ru; B4MoRu2; crystal structure
- OSTI Identifier:
- 1723986
- DOI:
- https://doi.org/10.17188/1723986
Citation Formats
Materials Data on B4MoRu2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723986.
Materials Data on B4MoRu2 by Materials Project. United States. doi:https://doi.org/10.17188/1723986
2020.
"Materials Data on B4MoRu2 by Materials Project". United States. doi:https://doi.org/10.17188/1723986. https://www.osti.gov/servlets/purl/1723986. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1723986,
title = {Materials Data on B4MoRu2 by Materials Project},
abstractNote = {MoRu2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.42 Å) and four longer (2.55 Å) Mo–B bond lengths. Ru2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.21–2.29 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to two equivalent Mo2+, five equivalent Ru2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.82 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Ru2+, and three B+1.50- atoms. The B–B bond length is 1.85 Å.},
doi = {10.17188/1723986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}