Materials Data on Mn2SnS4 by Materials Project

doi:10.17188/1196410

Title: Materials Data on Mn2SnS4 by Materials Project

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Abstract

Mn2SnS4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with six equivalent MnS6 octahedra, edges with four equivalent MnS6 octahedra, and edges with four equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Mn–S bond lengths are 2.60 Å. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share edges with two equivalent SnS6 octahedra and edges with eight equivalent MnS6 octahedra. There are two shorter (2.58 Å) and four longer (2.60 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Mn2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded to four equivalent Mn2+ and one Sn4+ atom to form a mixture of corner and edge-sharing SMn4Sn square pyramids.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-21139

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; Mn2SnS4; Mn-S-Sn

OSTI Identifier:: 1196410

DOI:: https://doi.org/10.17188/1196410

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                    The Materials Project. Materials Data on Mn2SnS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196410.

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                    The Materials Project. Materials Data on Mn2SnS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196410

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                    The Materials Project. 2020.  
"Materials Data on Mn2SnS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196410.  https://www.osti.gov/servlets/purl/1196410. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1196410,

  title        = {Materials Data on Mn2SnS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2SnS4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with six equivalent MnS6 octahedra, edges with four equivalent MnS6 octahedra, and edges with four equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Mn–S bond lengths are 2.60 Å. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share edges with two equivalent SnS6 octahedra and edges with eight equivalent MnS6 octahedra. There are two shorter (2.58 Å) and four longer (2.60 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Mn2+ and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded to four equivalent Mn2+ and one Sn4+ atom to form a mixture of corner and edge-sharing SMn4Sn square pyramids.},

  doi          = {10.17188/1196410},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196410

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