Materials Data on Li6OsN4 by Materials Project

doi:10.17188/1656007

Title: Materials Data on Li6OsN4 by Materials Project

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Abstract

Li6OsN4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent OsN4 tetrahedra, corners with eight equivalent LiN4 tetrahedra, and edges with six LiN4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.16 Å) Li–N bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with two equivalent OsN4 tetrahedra, corners with twelve LiN4 tetrahedra, an edgeedge with one OsN4 tetrahedra, and edges with four LiN4 tetrahedra. There are two shorter (2.14 Å) and two longer (2.15 Å) Li–N bond lengths. Os6+ is bonded to four equivalent N3- atoms to form distorted OsN4 tetrahedra that share corners with sixteen LiN4 tetrahedra and edges with four equivalent LiN4 tetrahedra. All Os–N bond lengths are 1.89 Å. N3- is bonded to six Li1+ and one Os6+ atom to form a mixture of distorted edge and corner-sharing NLi6Os pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029826

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; Li6OsN4; Li-N-Os

OSTI Identifier:: 1656007

DOI:: https://doi.org/10.17188/1656007

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                    The Materials Project. Materials Data on Li6OsN4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656007.

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                    The Materials Project. Materials Data on Li6OsN4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656007

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                    The Materials Project. 2020.  
"Materials Data on Li6OsN4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656007.  https://www.osti.gov/servlets/purl/1656007. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1656007,

  title        = {Materials Data on Li6OsN4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li6OsN4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent OsN4 tetrahedra, corners with eight equivalent LiN4 tetrahedra, and edges with six LiN4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.16 Å) Li–N bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with two equivalent OsN4 tetrahedra, corners with twelve LiN4 tetrahedra, an edgeedge with one OsN4 tetrahedra, and edges with four LiN4 tetrahedra. There are two shorter (2.14 Å) and two longer (2.15 Å) Li–N bond lengths. Os6+ is bonded to four equivalent N3- atoms to form distorted OsN4 tetrahedra that share corners with sixteen LiN4 tetrahedra and edges with four equivalent LiN4 tetrahedra. All Os–N bond lengths are 1.89 Å. N3- is bonded to six Li1+ and one Os6+ atom to form a mixture of distorted edge and corner-sharing NLi6Os pentagonal bipyramids.},

  doi          = {10.17188/1656007},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1656007

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