U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3B4W by Materials Project
Abstract
WMn3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. W6+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.28–2.32 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.19–2.29 Å. In the second Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.16–2.37 Å. In the third Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.22–2.38 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to one W6+, six Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the third B3- site, B3- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1221797
- 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-W; Mn3B4W; crystal structure
- OSTI Identifier:
- 1685465
- DOI:
- https://doi.org/10.17188/1685465
Citation Formats
Materials Data on Mn3B4W by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685465.
Materials Data on Mn3B4W by Materials Project. United States. doi:https://doi.org/10.17188/1685465
2020.
"Materials Data on Mn3B4W by Materials Project". United States. doi:https://doi.org/10.17188/1685465. https://www.osti.gov/servlets/purl/1685465. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685465,
title = {Materials Data on Mn3B4W by Materials Project},
abstractNote = {WMn3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. W6+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.28–2.32 Å. There are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.19–2.29 Å. In the second Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.16–2.37 Å. In the third Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mn–B bond distances ranging from 2.22–2.38 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to one W6+, six Mn2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.81 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent W6+, five Mn2+, and two equivalent B3- atoms.},
doi = {10.17188/1685465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}