U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr3B4Mo3 by Materials Project
Abstract
Mo3Cr3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Mo–B bond distances ranging from 2.31–2.44 Å. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.32 Å) and two longer (2.37 Å) Mo–B bond lengths. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.27 Å) and two longer (2.33 Å) Cr–B bond lengths. In the second Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Cr–B bond distances ranging from 2.24–2.35 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Mo2+, six Cr2+, and one B3- atom. The B–B bond length is 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four Mo2+, four equivalent Cr2+,more »
- Publication Date:
- Other Number(s):
- mp-1226327
- 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-Mo; Cr3B4Mo3; crystal structure
- OSTI Identifier:
- 1687915
- DOI:
- https://doi.org/10.17188/1687915
Citation Formats
Materials Data on Cr3B4Mo3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687915.
Materials Data on Cr3B4Mo3 by Materials Project. United States. doi:https://doi.org/10.17188/1687915
2020.
"Materials Data on Cr3B4Mo3 by Materials Project". United States. doi:https://doi.org/10.17188/1687915. https://www.osti.gov/servlets/purl/1687915. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687915,
title = {Materials Data on Cr3B4Mo3 by Materials Project},
abstractNote = {Mo3Cr3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are a spread of Mo–B bond distances ranging from 2.31–2.44 Å. In the second Mo2+ site, Mo2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.32 Å) and two longer (2.37 Å) Mo–B bond lengths. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.27 Å) and two longer (2.33 Å) Cr–B bond lengths. In the second Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Cr–B bond distances ranging from 2.24–2.35 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Mo2+, six Cr2+, and one B3- atom. The B–B bond length is 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four Mo2+, four equivalent Cr2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four Mo2+, four Cr2+, and one B3- atom. The B–B bond length is 1.92 Å.},
doi = {10.17188/1687915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}