Materials Data on K2Mn3S4 by Materials Project

doi:10.17188/1204302

Title: Materials Data on K2Mn3S4 by Materials Project

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Abstract

K2Mn3S4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.33–3.74 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.33–3.78 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. There are a spread of Mn–S bond distances ranging from 2.41–2.51 Å. In the second Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four K1+ and three Mn2+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to four K1+ and three Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-29861

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; K2Mn3S4; K-Mn-S

OSTI Identifier:: 1204302

DOI:: https://doi.org/10.17188/1204302

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                    The Materials Project. Materials Data on K2Mn3S4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204302.

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                    The Materials Project. Materials Data on K2Mn3S4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204302

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                    The Materials Project. 2020.  
"Materials Data on K2Mn3S4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204302.  https://www.osti.gov/servlets/purl/1204302. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1204302,

  title        = {Materials Data on K2Mn3S4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Mn3S4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.33–3.74 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.33–3.78 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. There are a spread of Mn–S bond distances ranging from 2.41–2.51 Å. In the second Mn2+ site, Mn2+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing MnS4 tetrahedra. All Mn–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to four K1+ and three Mn2+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to four K1+ and three Mn2+ atoms.},

  doi          = {10.17188/1204302},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204302

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