Materials Data on LiCaN by Materials Project

doi:10.17188/1205682

Title: Materials Data on LiCaN by Materials Project

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Abstract

LiCaN crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. There are two shorter (2.09 Å) and one longer (2.12 Å) Li–N bond lengths. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 tetrahedra. There are a spread of Ca–N bond distances ranging from 2.44–2.49 Å. N3- is bonded to three equivalent Li1+ and four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing NLi3Ca4 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-31468

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; LiCaN; Ca-Li-N

OSTI Identifier:: 1205682

DOI:: https://doi.org/10.17188/1205682

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                    The Materials Project. Materials Data on LiCaN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205682.

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                    The Materials Project. Materials Data on LiCaN by Materials Project.  United States.  doi:https://doi.org/10.17188/1205682

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                    The Materials Project. 2020.  
"Materials Data on LiCaN by Materials Project".  United States.  doi:https://doi.org/10.17188/1205682.  https://www.osti.gov/servlets/purl/1205682. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205682,

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

  author       = {The Materials Project},

  abstractNote = {LiCaN crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. There are two shorter (2.09 Å) and one longer (2.12 Å) Li–N bond lengths. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 tetrahedra. There are a spread of Ca–N bond distances ranging from 2.44–2.49 Å. N3- is bonded to three equivalent Li1+ and four equivalent Ca2+ atoms to form a mixture of edge and corner-sharing NLi3Ca4 pentagonal bipyramids.},

  doi          = {10.17188/1205682},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205682

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