Materials Data on BaZnSn by Materials Project

doi:10.17188/1205461

Title: Materials Data on BaZnSn by Materials Project

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Abstract

BaZnSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Zn and six equivalent Sn atoms to form a mixture of edge and face-sharing BaZn6Sn6 cuboctahedra. All Ba–Zn bond lengths are 3.71 Å. All Ba–Sn bond lengths are 3.71 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.74 Å. Sn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Zn atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-31148

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; BaZnSn; Ba-Sn-Zn

OSTI Identifier:: 1205461

DOI:: https://doi.org/10.17188/1205461

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                    The Materials Project. Materials Data on BaZnSn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205461.

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                    The Materials Project. Materials Data on BaZnSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1205461

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                    The Materials Project. 2020.  
"Materials Data on BaZnSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1205461.  https://www.osti.gov/servlets/purl/1205461. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205461,

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

  author       = {The Materials Project},

  abstractNote = {BaZnSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Zn and six equivalent Sn atoms to form a mixture of edge and face-sharing BaZn6Sn6 cuboctahedra. All Ba–Zn bond lengths are 3.71 Å. All Ba–Sn bond lengths are 3.71 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.74 Å. Sn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Zn atoms.},

  doi          = {10.17188/1205461},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205461

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