Materials Data on As2S3 by Materials Project

doi:10.17188/1280002

Title: Materials Data on As2S3 by Materials Project

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Abstract

As2S3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two As2S3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.31 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.29 Å) and one longer (2.30 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two As3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-641

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; As2S3; As-S

OSTI Identifier:: 1280002

DOI:: https://doi.org/10.17188/1280002

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                    The Materials Project. Materials Data on As2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280002.

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                    The Materials Project. Materials Data on As2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280002

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                    The Materials Project. 2020.  
"Materials Data on As2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280002.  https://www.osti.gov/servlets/purl/1280002. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1280002,

  title        = {Materials Data on As2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {As2S3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two As2S3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.31 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.29 Å) and one longer (2.30 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two As3+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As3+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As3+ atoms.},

  doi          = {10.17188/1280002},

  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/10.17188/1280002

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