Materials Data on NaCd3 by Materials Project

doi:10.17188/1310372

Title: Materials Data on NaCd3 by Materials Project

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Abstract

NaCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.13 Å) and six longer (3.62 Å) Na–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and four equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdNa4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Cd atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-865077

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; NaCd3; Cd-Na

OSTI Identifier:: 1310372

DOI:: https://doi.org/10.17188/1310372

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                    The Materials Project. Materials Data on NaCd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1310372.

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                    The Materials Project. Materials Data on NaCd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1310372

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                    The Materials Project. 2020.  
"Materials Data on NaCd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1310372.  https://www.osti.gov/servlets/purl/1310372. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1310372,

  title        = {Materials Data on NaCd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.13 Å) and six longer (3.62 Å) Na–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Na and four equivalent Cd atoms to form a mixture of distorted face, edge, and corner-sharing CdNa4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Cd atoms.},

  doi          = {10.17188/1310372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1310372

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