Materials Data on NaMnTe2 by Materials Project

doi:10.17188/1189119

Title: Materials Data on NaMnTe2 by Materials Project

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Abstract

NaMnTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Na1+ is bonded to six Te2- atoms to form NaTe6 octahedra that share corners with six equivalent MnTe4 tetrahedra, edges with six equivalent NaTe6 octahedra, and edges with three equivalent MnTe4 tetrahedra. There are three shorter (3.18 Å) and three longer (3.35 Å) Na–Te bond lengths. Mn3+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with six equivalent NaTe6 octahedra, corners with six equivalent MnTe4 tetrahedra, and edges with three equivalent NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 18–51°. There are one shorter (2.53 Å) and three longer (2.73 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one Mn3+ atom. In the second Te2- site, Te2- is bonded to three equivalent Na1+ and three equivalent Mn3+ atoms to form distorted edge-sharing TeNa3Mn3 octahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-12682

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; NaMnTe2; Mn-Na-Te

OSTI Identifier:: 1189119

DOI:: https://doi.org/10.17188/1189119

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                    The Materials Project. Materials Data on NaMnTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189119.

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                    The Materials Project. Materials Data on NaMnTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189119

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                    The Materials Project. 2020.  
"Materials Data on NaMnTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189119.  https://www.osti.gov/servlets/purl/1189119. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189119,

  title        = {Materials Data on NaMnTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaMnTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Na1+ is bonded to six Te2- atoms to form NaTe6 octahedra that share corners with six equivalent MnTe4 tetrahedra, edges with six equivalent NaTe6 octahedra, and edges with three equivalent MnTe4 tetrahedra. There are three shorter (3.18 Å) and three longer (3.35 Å) Na–Te bond lengths. Mn3+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with six equivalent NaTe6 octahedra, corners with six equivalent MnTe4 tetrahedra, and edges with three equivalent NaTe6 octahedra. The corner-sharing octahedra tilt angles range from 18–51°. There are one shorter (2.53 Å) and three longer (2.73 Å) Mn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one Mn3+ atom. In the second Te2- site, Te2- is bonded to three equivalent Na1+ and three equivalent Mn3+ atoms to form distorted edge-sharing TeNa3Mn3 octahedra.},

  doi          = {10.17188/1189119},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189119

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