Materials Data on NaCdAs by Materials Project

doi:10.17188/1287875

Title: Materials Data on NaCdAs by Materials Project

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Abstract

NaCdAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to five equivalent As3- atoms to form distorted NaAs5 trigonal bipyramids that share corners with eight equivalent CdAs4 tetrahedra, corners with eight equivalent NaAs5 trigonal bipyramids, edges with six equivalent CdAs4 tetrahedra, and edges with six equivalent NaAs5 trigonal bipyramids. There are a spread of Na–As bond distances ranging from 3.05–3.27 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with eight equivalent CdAs4 tetrahedra, corners with eight equivalent NaAs5 trigonal bipyramids, edges with two equivalent CdAs4 tetrahedra, and edges with six equivalent NaAs5 trigonal bipyramids. There are three shorter (2.77 Å) and one longer (2.86 Å) Cd–As bond lengths. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-7378

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; NaCdAs; As-Cd-Na

OSTI Identifier:: 1287875

DOI:: https://doi.org/10.17188/1287875

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                    The Materials Project. Materials Data on NaCdAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287875.

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                    The Materials Project. Materials Data on NaCdAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1287875

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                    The Materials Project. 2020.  
"Materials Data on NaCdAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1287875.  https://www.osti.gov/servlets/purl/1287875. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1287875,

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

  author       = {The Materials Project},

  abstractNote = {NaCdAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded to five equivalent As3- atoms to form distorted NaAs5 trigonal bipyramids that share corners with eight equivalent CdAs4 tetrahedra, corners with eight equivalent NaAs5 trigonal bipyramids, edges with six equivalent CdAs4 tetrahedra, and edges with six equivalent NaAs5 trigonal bipyramids. There are a spread of Na–As bond distances ranging from 3.05–3.27 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with eight equivalent CdAs4 tetrahedra, corners with eight equivalent NaAs5 trigonal bipyramids, edges with two equivalent CdAs4 tetrahedra, and edges with six equivalent NaAs5 trigonal bipyramids. There are three shorter (2.77 Å) and one longer (2.86 Å) Cd–As bond lengths. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Cd2+ atoms.},

  doi          = {10.17188/1287875},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287875

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