Materials Data on Sn(Mo3S4)2 by Materials Project

doi:10.17188/1263487

Title: Materials Data on Sn(Mo3S4)2 by Materials Project

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Abstract

SnMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.57 Å. Sn4+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.78 Å) and six longer (3.13 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mo2+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo2+ and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-5336

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; Sn(Mo3S4)2; Mo-S-Sn

OSTI Identifier:: 1263487

DOI:: https://doi.org/10.17188/1263487

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                    The Materials Project. Materials Data on Sn(Mo3S4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263487.

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                    The Materials Project. Materials Data on Sn(Mo3S4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263487

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                    The Materials Project. 2020.  
"Materials Data on Sn(Mo3S4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263487.  https://www.osti.gov/servlets/purl/1263487. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1263487,

  title        = {Materials Data on Sn(Mo3S4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.57 Å. Sn4+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.78 Å) and six longer (3.13 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mo2+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo2+ and one Sn4+ atom.},

  doi          = {10.17188/1263487},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1263487

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