Materials Data on BaZnSn2 by Materials Project

doi:10.17188/1667227

Title: Materials Data on BaZnSn2 by Materials Project

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Abstract

BaZnSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to six equivalent Zn and eight Sn atoms. There are two shorter (3.63 Å) and four longer (4.02 Å) Ba–Zn bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.62–4.03 Å. Zn is bonded in a 1-coordinate geometry to six equivalent Ba, two equivalent Zn, and one Sn atom. Both Zn–Zn bond lengths are 2.51 Å. The Zn–Sn bond length is 2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Sn atoms. There are two shorter (3.01 Å) and two longer (3.18 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a distorted single-bond geometry to four equivalent Ba, one Zn, and four equivalent Sn atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1227443

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; BaZnSn2; Ba-Sn-Zn

OSTI Identifier:: 1667227

DOI:: https://doi.org/10.17188/1667227

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                    The Materials Project. Materials Data on BaZnSn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1667227.

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                    The Materials Project. Materials Data on BaZnSn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1667227

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                    The Materials Project. 2020.  
"Materials Data on BaZnSn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1667227.  https://www.osti.gov/servlets/purl/1667227. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1667227,

  title        = {Materials Data on BaZnSn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaZnSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to six equivalent Zn and eight Sn atoms. There are two shorter (3.63 Å) and four longer (4.02 Å) Ba–Zn bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.62–4.03 Å. Zn is bonded in a 1-coordinate geometry to six equivalent Ba, two equivalent Zn, and one Sn atom. Both Zn–Zn bond lengths are 2.51 Å. The Zn–Sn bond length is 2.78 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Sn atoms. There are two shorter (3.01 Å) and two longer (3.18 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a distorted single-bond geometry to four equivalent Ba, one Zn, and four equivalent Sn atoms.},

  doi          = {10.17188/1667227},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1667227

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