Materials Data on ScZn3 by Materials Project

doi:10.17188/1314024

Title: Materials Data on ScZn3 by Materials Project

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Abstract

ScZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to fourteen Zn atoms. There are eight shorter (2.77 Å) and six longer (3.19 Å) Sc–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.77 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Zn atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-973143

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; ScZn3; Sc-Zn

OSTI Identifier:: 1314024

DOI:: https://doi.org/10.17188/1314024

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                    The Materials Project. Materials Data on ScZn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314024.

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                    The Materials Project. Materials Data on ScZn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314024

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                    The Materials Project. 2020.  
"Materials Data on ScZn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314024.  https://www.osti.gov/servlets/purl/1314024. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1314024,

  title        = {Materials Data on ScZn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to fourteen Zn atoms. There are eight shorter (2.77 Å) and six longer (3.19 Å) Sc–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.77 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Zn atoms.},

  doi          = {10.17188/1314024},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314024

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