Materials Data on Cs2Mn3Se4 by Materials Project

doi:10.17188/1207300

Title: Materials Data on Cs2Mn3Se4 by Materials Project

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Abstract

Cs2Mn3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.75–3.96 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Se bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-3704

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; Cs2Mn3Se4; Cs-Mn-Se

OSTI Identifier:: 1207300

DOI:: https://doi.org/10.17188/1207300

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                    The Materials Project. Materials Data on Cs2Mn3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207300.

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                    The Materials Project. Materials Data on Cs2Mn3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207300

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                    The Materials Project. 2020.  
"Materials Data on Cs2Mn3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207300.  https://www.osti.gov/servlets/purl/1207300. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1207300,

  title        = {Materials Data on Cs2Mn3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2Mn3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.75–3.96 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Se bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms.},

  doi          = {10.17188/1207300},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1207300

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