U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2B4Mo by Materials Project
Abstract
MoMn2B4 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 (2.35 Å) and four longer (2.45 Å) Mo–B bond lengths. Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.22 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 Mn2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Mn2+, and three B+1.50- atoms. The B–B bond length is 1.86 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1078108
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mn2B4Mo; B-Mn-Mo
- OSTI Identifier:
- 1738054
- DOI:
- https://doi.org/10.17188/1738054
Citation Formats
The Materials Project. Materials Data on Mn2B4Mo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738054.
The Materials Project. Materials Data on Mn2B4Mo by Materials Project. United States. doi:https://doi.org/10.17188/1738054
The Materials Project. 2020.
"Materials Data on Mn2B4Mo by Materials Project". United States. doi:https://doi.org/10.17188/1738054. https://www.osti.gov/servlets/purl/1738054. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738054,
title = {Materials Data on Mn2B4Mo by Materials Project},
author = {The Materials Project},
abstractNote = {MoMn2B4 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 (2.35 Å) and four longer (2.45 Å) Mo–B bond lengths. Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.22 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 Mn2+, and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.80 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Mn2+, and three B+1.50- atoms. The B–B bond length is 1.86 Å.},
doi = {10.17188/1738054},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}