U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnPSe3 by Materials Project
Abstract
MnPSe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three MnPSe3 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six equivalent Se2- atoms to form edge-sharing MnSe6 octahedra. There are three shorter (2.73 Å) and three longer (2.74 Å) Mn–Se bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn2+ and one P4+ atom.
- Publication Date:
- Other Number(s):
- mp-8695
- 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; Mn-P-Se; MnPSe3; crystal structure
- OSTI Identifier:
- 1312588
- DOI:
- https://doi.org/10.17188/1312588
Citation Formats
Materials Data on MnPSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312588.
Materials Data on MnPSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1312588
2020.
"Materials Data on MnPSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1312588. https://www.osti.gov/servlets/purl/1312588. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1312588,
title = {Materials Data on MnPSe3 by Materials Project},
abstractNote = {MnPSe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three MnPSe3 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six equivalent Se2- atoms to form edge-sharing MnSe6 octahedra. There are three shorter (2.73 Å) and three longer (2.74 Å) Mn–Se bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn2+ and one P4+ atom.},
doi = {10.17188/1312588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}
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