Materials Data on Li2HN by Materials Project

doi:10.17188/1678477

Title: Materials Data on Li2HN by Materials Project

Dataset
Other Related Research

Abstract

Li2NH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. There are a spread of Li–N bond distances ranging from 2.14–2.32 Å. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three equivalent N3- and two equivalent H1+ atoms. There is one shorter (1.90 Å) and two longer (2.09 Å) Li–N bond length. Both Li–H bond lengths are 2.05 Å. N3- is bonded in a distorted single-bond geometry to seven Li1+ and one H1+ atom. The N–H bond length is 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:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1189725

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; Li2HN; H-Li-N

OSTI Identifier:: 1678477

DOI:: https://doi.org/10.17188/1678477

Citation Formats


                    The Materials Project. Materials Data on Li2HN by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1678477.

Copy to clipboard


                    The Materials Project. Materials Data on Li2HN by Materials Project.  United States.  doi:https://doi.org/10.17188/1678477

Copy to clipboard


                    The Materials Project. 2019.  
"Materials Data on Li2HN by Materials Project".  United States.  doi:https://doi.org/10.17188/1678477.  https://www.osti.gov/servlets/purl/1678477. Pub date:Fri Jan 11 00:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1678477,

  title        = {Materials Data on Li2HN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2NH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. There are a spread of Li–N bond distances ranging from 2.14–2.32 Å. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three equivalent N3- and two equivalent H1+ atoms. There is one shorter (1.90 Å) and two longer (2.09 Å) Li–N bond length. Both Li–H bond lengths are 2.05 Å. N3- is bonded in a distorted single-bond geometry to seven Li1+ and one H1+ atom. The N–H bond length is 1.03 Å. H1+ is bonded in a single-bond geometry to two equivalent Li1+ and one N3- atom.},

  doi          = {10.17188/1678477},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1678477

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Li2HN by Materials Project

Dataset The Materials Project

Li2NH crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to three equivalent N3- and one H1+ atom to form corner-sharing LiHN3 trigonal pyramids. All Li–N bond lengths are 2.09 Å. The Li–H bond length is 1.76 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one N3- and three equivalent H1+ atoms. The Li–N bond length is 2.07 Å. All Li–H bond lengths are 2.08 Å. N3- is bonded in a distorted single-bond geometry to four Li1+ andmore »« less
Materials Data on Li2HN by Materials Project

Dataset The Materials Project

Li2NH crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to three equivalent N3- and one H1+ atom. There are one shorter (2.11 Å) and two longer (2.14 Å) Li–N bond lengths. The Li–H bond length is 1.82 Å. N3- is bonded in a distorted single-bond geometry to six equivalent Li1+ and one H1+ atom. The N–H bond length is 1.03 Å. H1+ is bonded in a distorted single-bond geometry to two equivalent Li1+ and one N3- atom.
Materials Data on Li2HN by Materials Project

Dataset The Materials Project

Li2NH crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 8-coordinate geometry to two equivalent Li1+, four N3-, and two equivalent H1+ atoms. Both Li–Li bond lengths are 2.22 Å. There are two shorter (2.12 Å) and two longer (2.15 Å) Li–N bond lengths. Both Li–H bond lengths are 1.97 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four N3- and two equivalent H1+ atoms. There are two shorter (2.16 Å) and two longer (2.33 Å)more »« less
Materials Data on Li2HN by Materials Project

Dataset The Materials Project

Li2NH crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are six inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to two equivalent Li1+ and four N3- atoms to form distorted corner-sharing LiLi2N4 tetrahedra. There are one shorter (2.21 Å) and one longer (2.39 Å) Li–Li bond lengths. There are a spread of Li–N bond distances ranging from 1.95–2.07 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four N3- and two equivalent H1+ atoms. There are a spread of Li–N bond distances ranging from 2.15–2.32 Å. Both Li–Hmore »« less
Materials Data on Li2HN by Materials Project

Dataset The Materials Project

Li2NH crystallizes in the tetragonal P4_2 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form edge-sharing LiN4 tetrahedra. There are two shorter (2.19 Å) and two longer (2.23 Å) Li–N bond lengths. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent H1+ atoms. There is two shorter (1.89 Å) and two longer (1.91 Å) Li–H bond length. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two equivalent N3- and two equivalentmore »« less

Similar Records