Materials Data on LiPN2 by Materials Project

doi:10.17188/1206965

Title: Materials Data on LiPN2 by Materials Project

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Abstract

LiPN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent PN4 tetrahedra. All Li–N bond lengths are 2.11 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All P–N bond lengths are 1.65 Å. N3- is bonded to two equivalent Li1+ and two equivalent P5+ atoms to form distorted corner-sharing NLi2P2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-3524

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; LiPN2; Li-N-P

OSTI Identifier:: 1206965

DOI:: https://doi.org/10.17188/1206965

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                    The Materials Project. Materials Data on LiPN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206965.

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                    The Materials Project. Materials Data on LiPN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206965

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                    The Materials Project. 2020.  
"Materials Data on LiPN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206965.  https://www.osti.gov/servlets/purl/1206965. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1206965,

  title        = {Materials Data on LiPN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiPN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent PN4 tetrahedra. All Li–N bond lengths are 2.11 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All P–N bond lengths are 1.65 Å. N3- is bonded to two equivalent Li1+ and two equivalent P5+ atoms to form distorted corner-sharing NLi2P2 trigonal pyramids.},

  doi          = {10.17188/1206965},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206965

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