Materials Data on MnS2 by Materials Project
Abstract
MnS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn4+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.16–2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Mn4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1095335
- 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; MnS2; Mn-S
- OSTI Identifier:
- 1683734
- DOI:
- https://doi.org/10.17188/1683734
Citation Formats
The Materials Project. Materials Data on MnS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1683734.
The Materials Project. Materials Data on MnS2 by Materials Project. United States. doi:https://doi.org/10.17188/1683734
The Materials Project. 2020.
"Materials Data on MnS2 by Materials Project". United States. doi:https://doi.org/10.17188/1683734. https://www.osti.gov/servlets/purl/1683734. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1683734,
title = {Materials Data on MnS2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn4+ is bonded to five S2- atoms to form a mixture of distorted edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.16–2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Mn4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ atoms.},
doi = {10.17188/1683734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}
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