Materials Data on SnSO4 by Materials Project

doi:10.17188/1266807

Title: Materials Data on SnSO4 by Materials Project

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Abstract

SnSO4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SnSO4 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.26 Å) and two longer (2.28 Å) Sn–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.46 Å) and three longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-542967

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; SnSO4; O-S-Sn

OSTI Identifier:: 1266807

DOI:: https://doi.org/10.17188/1266807

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                    The Materials Project. Materials Data on SnSO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266807.

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                    The Materials Project. Materials Data on SnSO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266807

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                    The Materials Project. 2020.  
"Materials Data on SnSO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266807.  https://www.osti.gov/servlets/purl/1266807. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1266807,

  title        = {Materials Data on SnSO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnSO4 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two SnSO4 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.26 Å) and two longer (2.28 Å) Sn–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.46 Å) and three longer (1.51 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one S6+ atom.},

  doi          = {10.17188/1266807},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266807

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