Materials Data on NaTe by Materials Project

doi:10.17188/1202472

Title: Materials Data on NaTe by Materials Project

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Abstract

NaTe crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.08–3.59 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.16–3.74 Å. In the third Na1+ site, Na1+ is bonded to six Te1- atoms to form a mixture of distorted face and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are a spread of Na–Te bond distances ranging from 3.16–3.44 Å. There are four inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Te1- atoms. There are one shorter (2.89 Å) and one longer (3.49 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to six Na1+ atoms. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to five Na1+ and two equivalent Te1- atoms. In the fourth Te1- site, Te1- ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-28353

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; NaTe; Na-Te

OSTI Identifier:: 1202472

DOI:: https://doi.org/10.17188/1202472

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                    The Materials Project. Materials Data on NaTe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202472.

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                    The Materials Project. Materials Data on NaTe by Materials Project.  United States.  doi:https://doi.org/10.17188/1202472

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                    The Materials Project. 2020.  
"Materials Data on NaTe by Materials Project".  United States.  doi:https://doi.org/10.17188/1202472.  https://www.osti.gov/servlets/purl/1202472. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1202472,

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

  author       = {The Materials Project},

  abstractNote = {NaTe crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.08–3.59 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Na–Te bond distances ranging from 3.16–3.74 Å. In the third Na1+ site, Na1+ is bonded to six Te1- atoms to form a mixture of distorted face and corner-sharing NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. There are a spread of Na–Te bond distances ranging from 3.16–3.44 Å. There are four inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 9-coordinate geometry to seven Na1+ and two equivalent Te1- atoms. There are one shorter (2.89 Å) and one longer (3.49 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to six Na1+ atoms. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to five Na1+ and two equivalent Te1- atoms. In the fourth Te1- site, Te1- is bonded in a 8-coordinate geometry to eight Na1+ atoms.},

  doi          = {10.17188/1202472},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202472

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