Materials Data on NaCuTe by Materials Project

doi:10.17188/1287980

Title: Materials Data on NaCuTe by Materials Project

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Abstract

NaCuTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Te2- atoms to form distorted NaTe5 trigonal bipyramids that share corners with twelve equivalent CuTe4 tetrahedra, corners with four equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with eight equivalent NaTe5 trigonal bipyramids. There are four shorter (3.19 Å) and one longer (3.22 Å) Na–Te bond lengths. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with four equivalent NaTe5 trigonal bipyramids. All Cu–Te bond lengths are 2.71 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7434

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; NaCuTe; Cu-Na-Te

OSTI Identifier:: 1287980

DOI:: https://doi.org/10.17188/1287980

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                    The Materials Project. Materials Data on NaCuTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287980.

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                    The Materials Project. Materials Data on NaCuTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1287980

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                    The Materials Project. 2020.  
"Materials Data on NaCuTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1287980.  https://www.osti.gov/servlets/purl/1287980. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1287980,

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

  author       = {The Materials Project},

  abstractNote = {NaCuTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Te2- atoms to form distorted NaTe5 trigonal bipyramids that share corners with twelve equivalent CuTe4 tetrahedra, corners with four equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with eight equivalent NaTe5 trigonal bipyramids. There are four shorter (3.19 Å) and one longer (3.22 Å) Na–Te bond lengths. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with four equivalent NaTe5 trigonal bipyramids. All Cu–Te bond lengths are 2.71 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1287980},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287980

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