Materials Data on As2SO6 by Materials Project

doi:10.17188/1201433

Title: Materials Data on As2SO6 by Materials Project

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Abstract

As2SO6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of one As2SO6 sheet oriented in the (0, 1, 0) direction. As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.95 Å. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.55 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 S2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S2+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-27230

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; As2SO6; As-O-S

OSTI Identifier:: 1201433

DOI:: https://doi.org/10.17188/1201433

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                    The Materials Project. Materials Data on As2SO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201433.

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                    The Materials Project. Materials Data on As2SO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201433

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                    The Materials Project. 2020.  
"Materials Data on As2SO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201433.  https://www.osti.gov/servlets/purl/1201433. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1201433,

  title        = {Materials Data on As2SO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {As2SO6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of one As2SO6 sheet oriented in the (0, 1, 0) direction. As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.95 Å. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.55 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 S2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S2+ atom.},

  doi          = {10.17188/1201433},

  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/10.17188/1201433

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