U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2ZnS5 by Materials Project
Abstract
Mn2ZnS5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Mn2ZnS5 sheet oriented in the (1, 0, 0) direction. there are four inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.36 Å. In the second Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.36 Å. In the third Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.37 Å. In the fourth Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.37 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. All Zn–S bond lengths aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-12972
- 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; Mn2ZnS5; Mn-S-Zn
- OSTI Identifier:
- 1318703
- DOI:
- https://doi.org/10.17188/1318703
Citation Formats
The Materials Project. Materials Data on Mn2ZnS5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318703.
The Materials Project. Materials Data on Mn2ZnS5 by Materials Project. United States. doi:https://doi.org/10.17188/1318703
The Materials Project. 2020.
"Materials Data on Mn2ZnS5 by Materials Project". United States. doi:https://doi.org/10.17188/1318703. https://www.osti.gov/servlets/purl/1318703. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1318703,
title = {Materials Data on Mn2ZnS5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2ZnS5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Mn2ZnS5 sheet oriented in the (1, 0, 0) direction. there are four inequivalent Mn4+ sites. In the first Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.36 Å. In the second Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.36 Å. In the third Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.37 Å. In the fourth Mn4+ site, Mn4+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MnS5 trigonal bipyramids. There are a spread of Mn–S bond distances ranging from 2.23–2.37 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. All Zn–S bond lengths are 2.42 Å. In the second Zn2+ site, Zn2+ is bonded in a distorted square co-planar geometry to four S2- atoms. All Zn–S bond lengths are 2.42 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two Mn4+ atoms. In the second S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two Mn4+ atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. In the fifth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. In the sixth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Mn4+ atoms. In the seventh S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Mn4+ and two equivalent Zn2+ atoms. In the eighth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Mn4+ and two equivalent Zn2+ atoms. In the ninth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Mn4+ and two equivalent Zn2+ atoms. In the tenth S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Mn4+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1318703},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}