Materials Data on Sr2Ga2S5 by Materials Project

doi:10.17188/1190834

Title: Materials Data on Sr2Ga2S5 by Materials Project

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Abstract

Sr2Ga2S5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 3.01–3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 2.97–3.33 Å. 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 a spread of Ga–S bond distances ranging from 2.25–2.36 Å. 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 2.27–2.37 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the second S2- site, S2- is bonded to four Sr2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SSr4Ga trigonal bipyramids. In the third S2- site, S2- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-14680

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; Sr2Ga2S5; Ga-S-Sr

OSTI Identifier:: 1190834

DOI:: https://doi.org/10.17188/1190834

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                    The Materials Project. Materials Data on Sr2Ga2S5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190834.

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                    The Materials Project. Materials Data on Sr2Ga2S5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190834

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                    The Materials Project. 2020.  
"Materials Data on Sr2Ga2S5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190834.  https://www.osti.gov/servlets/purl/1190834. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1190834,

  title        = {Materials Data on Sr2Ga2S5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2Ga2S5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 3.01–3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 2.97–3.33 Å. 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 a spread of Ga–S bond distances ranging from 2.25–2.36 Å. 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 2.27–2.37 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the second S2- site, S2- is bonded to four Sr2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SSr4Ga trigonal bipyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded to four Sr2+ and one Ga3+ atom to form distorted SSr4Ga trigonal bipyramids that share corners with seven SSr4Ga trigonal bipyramids and edges with six SSr3Ga2 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three Sr2+ and two Ga3+ atoms to form a mixture of distorted edge and corner-sharing SSr3Ga2 trigonal bipyramids.},

  doi          = {10.17188/1190834},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1190834

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