Materials Data on NaCaYCdF8 by Materials Project

doi:10.17188/1672868

Title: Materials Data on NaCaYCdF8 by Materials Project

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Abstract

NaCaYCdF8 is Fluorite-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.44 Å. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Ca–F bond lengths are 2.38 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Y–F bond lengths are 2.31 Å. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Cd–F bond lengths are 2.38 Å. F1- is bonded to one Na1+, one Ca2+, one Y3+, and one Cd2+ atom to form a mixture of edge and corner-sharing FNaCaYCd tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1221079

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; NaCaYCdF8; Ca-Cd-F-Na-Y

OSTI Identifier:: 1672868

DOI:: https://doi.org/10.17188/1672868

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                    The Materials Project. Materials Data on NaCaYCdF8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672868.

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                    The Materials Project. Materials Data on NaCaYCdF8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672868

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                    The Materials Project. 2020.  
"Materials Data on NaCaYCdF8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672868.  https://www.osti.gov/servlets/purl/1672868. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1672868,

  title        = {Materials Data on NaCaYCdF8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCaYCdF8 is Fluorite-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.44 Å. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Ca–F bond lengths are 2.38 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Y–F bond lengths are 2.31 Å. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Cd–F bond lengths are 2.38 Å. F1- is bonded to one Na1+, one Ca2+, one Y3+, and one Cd2+ atom to form a mixture of edge and corner-sharing FNaCaYCd tetrahedra.},

  doi          = {10.17188/1672868},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672868

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