Materials Data on La3GaCoS7 by Materials Project

doi:10.17188/1684144

Title: Materials Data on La3GaCoS7 by Materials Project

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Abstract

La3CoGaS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.49 Å. Co2+ is bonded to six equivalent S2- atoms to form face-sharing CoS6 octahedra. There are three shorter (2.44 Å) and three longer (2.50 Å) Co–S bond lengths. Ga3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.24 Å) and three longer (2.29 Å) Ga–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1191572

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; La3GaCoS7; Co-Ga-La-S

OSTI Identifier:: 1684144

DOI:: https://doi.org/10.17188/1684144

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                    The Materials Project. Materials Data on La3GaCoS7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684144.

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                    The Materials Project. Materials Data on La3GaCoS7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684144

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                    The Materials Project. 2020.  
"Materials Data on La3GaCoS7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684144.  https://www.osti.gov/servlets/purl/1684144. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1684144,

  title        = {Materials Data on La3GaCoS7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3CoGaS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.49 Å. Co2+ is bonded to six equivalent S2- atoms to form face-sharing CoS6 octahedra. There are three shorter (2.44 Å) and three longer (2.50 Å) Co–S bond lengths. Ga3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.24 Å) and three longer (2.29 Å) Ga–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Ga3+ atom.},

  doi          = {10.17188/1684144},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1684144

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