U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3B4 by Materials Project
Abstract
Mn3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, 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 2.13–2.19 Å. In the second Mn2+ site, Mn2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are eight shorter (2.27 Å) and four longer (2.35 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven Mn2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six Mn2+ and three B+1.50- atoms. The B–B bond length is 1.72 Å.
- Publication Date:
- Other Number(s):
- mp-10118
- 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-Mn; crystal structure; Mn3B4
- OSTI Identifier:
- 1186102
- DOI:
- https://doi.org/10.17188/1186102
Citation Formats
Materials Data on Mn3B4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186102.
Materials Data on Mn3B4 by Materials Project. United States. doi:https://doi.org/10.17188/1186102
2020.
"Materials Data on Mn3B4 by Materials Project". United States. doi:https://doi.org/10.17188/1186102. https://www.osti.gov/servlets/purl/1186102. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1186102,
title = {Materials Data on Mn3B4 by Materials Project},
abstractNote = {Mn3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, 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 2.13–2.19 Å. In the second Mn2+ site, Mn2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are eight shorter (2.27 Å) and four longer (2.35 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven Mn2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six Mn2+ and three B+1.50- atoms. The B–B bond length is 1.72 Å.},
doi = {10.17188/1186102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}