Materials Data on BaCaSn by Materials Project

doi:10.17188/1187687

Title: Materials Data on BaCaSn by Materials Project

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Abstract

BaCaSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are one shorter (3.62 Å) and four longer (3.82 Å) Ba–Sn bond lengths. Ca is bonded to four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CaSn4 tetrahedra. There are a spread of Ca–Sn bond distances ranging from 3.27–3.34 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-11265

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; BaCaSn; Ba-Ca-Sn

OSTI Identifier:: 1187687

DOI:: https://doi.org/10.17188/1187687

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                    The Materials Project. Materials Data on BaCaSn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187687.

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                    The Materials Project. Materials Data on BaCaSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1187687

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                    The Materials Project. 2020.  
"Materials Data on BaCaSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1187687.  https://www.osti.gov/servlets/purl/1187687. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1187687,

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

  author       = {The Materials Project},

  abstractNote = {BaCaSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are one shorter (3.62 Å) and four longer (3.82 Å) Ba–Sn bond lengths. Ca is bonded to four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CaSn4 tetrahedra. There are a spread of Ca–Sn bond distances ranging from 3.27–3.34 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.},

  doi          = {10.17188/1187687},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187687

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