Materials Data on LiH2N by Materials Project

doi:10.17188/1690939

Title: Materials Data on LiH2N by Materials Project

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Abstract

LiNH2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of one LiNH2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- and four equivalent H1+ atoms. All Li–N bond lengths are 2.13 Å. All Li–H bond lengths are 2.21 Å. N3- is bonded in a distorted water-like geometry to four equivalent Li1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to two equivalent Li1+ and one N3- atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1079418

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; LiH2N; H-Li-N

OSTI Identifier:: 1690939

DOI:: https://doi.org/10.17188/1690939

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                    The Materials Project. Materials Data on LiH2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1690939.

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                    The Materials Project. Materials Data on LiH2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1690939

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                    The Materials Project. 2020.  
"Materials Data on LiH2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1690939.  https://www.osti.gov/servlets/purl/1690939. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1690939,

  title        = {Materials Data on LiH2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiNH2 crystallizes in the tetragonal P-42_1m space group. The structure is two-dimensional and consists of one LiNH2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- and four equivalent H1+ atoms. All Li–N bond lengths are 2.13 Å. All Li–H bond lengths are 2.21 Å. N3- is bonded in a distorted water-like geometry to four equivalent Li1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to two equivalent Li1+ and one N3- atom.},

  doi          = {10.17188/1690939},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1690939

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Materials Data on LiH2N by Materials Project

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LiNH2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiNH2 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- and four H1+ atoms. There are a spread of Li–N bond distances ranging from 2.12–2.15 Å. There are a spread of Li–H bond distances ranging from 2.17–2.29 Å. N3- is bonded in a distorted water-like geometry to four equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.04 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ ismore »« less

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