Materials Data on Sr(GaSe2)2 by Materials Project

doi:10.17188/1680259

Title: Materials Data on Sr(GaSe2)2 by Materials Project

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Abstract

SrGa2Se4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.32 Å) Sr–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.43–2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeSr2Ga2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1104062

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; Sr(GaSe2)2; Ga-Se-Sr

OSTI Identifier:: 1680259

DOI:: https://doi.org/10.17188/1680259

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                    The Materials Project. Materials Data on Sr(GaSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680259.

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                    The Materials Project. Materials Data on Sr(GaSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680259

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                    The Materials Project. 2020.  
"Materials Data on Sr(GaSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680259.  https://www.osti.gov/servlets/purl/1680259. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1680259,

  title        = {Materials Data on Sr(GaSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrGa2Se4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.29 Å) and four longer (3.32 Å) Sr–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.43–2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeSr2Ga2 trigonal pyramids.},

  doi          = {10.17188/1680259},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680259

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