Materials Data on SmSI by Materials Project

doi:10.17188/1264941

Title: Materials Data on SmSI by Materials Project

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Abstract

SmSI is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three SmSI sheets oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. There are three shorter (2.76 Å) and one longer (2.83 Å) Sm–S bond lengths. All Sm–I bond lengths are 3.33 Å. S2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SSm4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Sm3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-541073

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; SmSI; I-S-Sm

OSTI Identifier:: 1264941

DOI:: https://doi.org/10.17188/1264941

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                    The Materials Project. Materials Data on SmSI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264941.

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                    The Materials Project. Materials Data on SmSI by Materials Project.  United States.  doi:https://doi.org/10.17188/1264941

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                    The Materials Project. 2020.  
"Materials Data on SmSI by Materials Project".  United States.  doi:https://doi.org/10.17188/1264941.  https://www.osti.gov/servlets/purl/1264941. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1264941,

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

  author       = {The Materials Project},

  abstractNote = {SmSI is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three SmSI sheets oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. There are three shorter (2.76 Å) and one longer (2.83 Å) Sm–S bond lengths. All Sm–I bond lengths are 3.33 Å. S2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SSm4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Sm3+ atoms.},

  doi          = {10.17188/1264941},

  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/10.17188/1264941

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