U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn(CuS)2 by Materials Project
Abstract
Mn(CuS)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn2+ is bonded in a 9-coordinate geometry to three equivalent Cu1+ and six S2- atoms. All Mn–Cu bond lengths are 2.49 Å. There are three shorter (2.60 Å) and three longer (2.82 Å) Mn–S bond lengths. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 6-coordinate geometry to two equivalent Mn2+ and four S2- atoms. There are two shorter (2.33 Å) and two longer (2.44 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.37 Å. In the third Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222040
- 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; Mn(CuS)2; Cu-Mn-S
- OSTI Identifier:
- 1737980
- DOI:
- https://doi.org/10.17188/1737980
Citation Formats
The Materials Project. Materials Data on Mn(CuS)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1737980.
The Materials Project. Materials Data on Mn(CuS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1737980
The Materials Project. 2020.
"Materials Data on Mn(CuS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1737980. https://www.osti.gov/servlets/purl/1737980. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1737980,
title = {Materials Data on Mn(CuS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn(CuS)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn2+ is bonded in a 9-coordinate geometry to three equivalent Cu1+ and six S2- atoms. All Mn–Cu bond lengths are 2.49 Å. There are three shorter (2.60 Å) and three longer (2.82 Å) Mn–S bond lengths. There are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 6-coordinate geometry to two equivalent Mn2+ and four S2- atoms. There are two shorter (2.33 Å) and two longer (2.44 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.37 Å. In the third Cu1+ site, Cu1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to three equivalent Mn2+ and four Cu1+ atoms.},
doi = {10.17188/1737980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}