Materials Data on Na2Cd11 by Materials Project

doi:10.17188/1707035

Title: Materials Data on Na2Cd11 by Materials Project

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Abstract

Cd11Na2 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Na–Cd bond distances ranging from 3.36–3.59 Å. There are five inequivalent Cd sites. In the first Cd site, Cd is bonded in a cuboctahedral geometry to twelve equivalent Cd atoms. All Cd–Cd bond lengths are 3.03 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to three equivalent Na and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.90–3.21 Å. In the third Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.03–3.22 Å. In the fourth Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Na and five Cd atoms. The Cd–Cd bond length is 3.15 Å. In the fifth Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Na and six Cd atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1203422

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; Na2Cd11; Cd-Na

OSTI Identifier:: 1707035

DOI:: https://doi.org/10.17188/1707035

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                    The Materials Project. Materials Data on Na2Cd11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707035.

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                    The Materials Project. Materials Data on Na2Cd11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707035

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                    The Materials Project. 2020.  
"Materials Data on Na2Cd11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707035.  https://www.osti.gov/servlets/purl/1707035. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1707035,

  title        = {Materials Data on Na2Cd11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd11Na2 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Na–Cd bond distances ranging from 3.36–3.59 Å. There are five inequivalent Cd sites. In the first Cd site, Cd is bonded in a cuboctahedral geometry to twelve equivalent Cd atoms. All Cd–Cd bond lengths are 3.03 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to three equivalent Na and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.90–3.21 Å. In the third Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.03–3.22 Å. In the fourth Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Na and five Cd atoms. The Cd–Cd bond length is 3.15 Å. In the fifth Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Na and six Cd atoms.},

  doi          = {10.17188/1707035},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1707035

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