Materials Data on BaSrGa4 by Materials Project

doi:10.17188/1737987

Title: Materials Data on BaSrGa4 by Materials Project

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Abstract

BaSrGa4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ga atoms to form BaGa12 cuboctahedra that share edges with twelve equivalent SrGa12 cuboctahedra, faces with two equivalent SrGa12 cuboctahedra, and faces with six equivalent BaGa12 cuboctahedra. All Ba–Ga bond lengths are 3.58 Å. Sr is bonded to twelve equivalent Ga atoms to form SrGa12 cuboctahedra that share edges with twelve equivalent BaGa12 cuboctahedra, faces with two equivalent BaGa12 cuboctahedra, and faces with six equivalent SrGa12 cuboctahedra. All Sr–Ga bond lengths are 3.52 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Ba, three equivalent Sr, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1227665

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; BaSrGa4; Ba-Ga-Sr

OSTI Identifier:: 1737987

DOI:: https://doi.org/10.17188/1737987

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                    The Materials Project. Materials Data on BaSrGa4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1737987.

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                    The Materials Project. Materials Data on BaSrGa4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1737987

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                    The Materials Project. 2020.  
"Materials Data on BaSrGa4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1737987.  https://www.osti.gov/servlets/purl/1737987. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1737987,

  title        = {Materials Data on BaSrGa4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSrGa4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ga atoms to form BaGa12 cuboctahedra that share edges with twelve equivalent SrGa12 cuboctahedra, faces with two equivalent SrGa12 cuboctahedra, and faces with six equivalent BaGa12 cuboctahedra. All Ba–Ga bond lengths are 3.58 Å. Sr is bonded to twelve equivalent Ga atoms to form SrGa12 cuboctahedra that share edges with twelve equivalent BaGa12 cuboctahedra, faces with two equivalent BaGa12 cuboctahedra, and faces with six equivalent SrGa12 cuboctahedra. All Sr–Ga bond lengths are 3.52 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Ba, three equivalent Sr, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å.},

  doi          = {10.17188/1737987},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1737987

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