Materials Data on Ga2S3 by Materials Project

doi:10.17188/1206325

Title: Materials Data on Ga2S3 by Materials Project

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Abstract

Ga2S3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.22 Å) and three longer (2.35 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.23–2.36 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ga3+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-32616

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; Ga2S3; Ga-S

OSTI Identifier:: 1206325

DOI:: https://doi.org/10.17188/1206325

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                    The Materials Project. Materials Data on Ga2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206325.

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                    The Materials Project. Materials Data on Ga2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206325

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                    The Materials Project. 2020.  
"Materials Data on Ga2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206325.  https://www.osti.gov/servlets/purl/1206325. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1206325,

  title        = {Materials Data on Ga2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga2S3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are one shorter (2.22 Å) and three longer (2.35 Å) Ga–S bond lengths. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.23–2.36 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ga3+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Ga3+ atoms.},

  doi          = {10.17188/1206325},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206325

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