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Title: Materials Data on Li2SiN2 by Materials Project

Abstract

Li2SiN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 1.99–2.39 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 1.98–2.15 Å. In the third Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.05–2.46 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are a spread of Li–N bond distances ranging from 2.01–2.23 Å. In the fifth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.15–2.34 Å. In the sixth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.15–2.48 Å. In the seventh Li1+ site, Li1+ is bonded in a 4-coordinate geometrymore » to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.11–2.30 Å. In the eighth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.06–2.22 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.83 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.75–1.81 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. In the fourth Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.79 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a 5-coordinate geometry to four Li1+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a 7-coordinate geometry to five Li1+ and two Si4+ atoms. In the fifth N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the sixth N3- site, N3- is bonded in a 7-coordinate geometry to five Li1+ and two Si4+ atoms. In the seventh N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the eighth N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1283858
Report Number(s):
mp-684024
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Li2SiN2; Li-N-Si

Citation Formats

The Materials Project. Materials Data on Li2SiN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283858.
The Materials Project. Materials Data on Li2SiN2 by Materials Project. United States. https://doi.org/10.17188/1283858
The Materials Project. 2020. "Materials Data on Li2SiN2 by Materials Project". United States. https://doi.org/10.17188/1283858. https://www.osti.gov/servlets/purl/1283858.
@article{osti_1283858,
title = {Materials Data on Li2SiN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2SiN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 1.99–2.39 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 1.98–2.15 Å. In the third Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.05–2.46 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are a spread of Li–N bond distances ranging from 2.01–2.23 Å. In the fifth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.15–2.34 Å. In the sixth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Li–N bond distances ranging from 2.15–2.48 Å. In the seventh Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.11–2.30 Å. In the eighth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.06–2.22 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.83 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.75–1.81 Å. In the third Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. In the fourth Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.79 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a 5-coordinate geometry to four Li1+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a 7-coordinate geometry to five Li1+ and two Si4+ atoms. In the fifth N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the sixth N3- site, N3- is bonded in a 7-coordinate geometry to five Li1+ and two Si4+ atoms. In the seventh N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms. In the eighth N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two Si4+ atoms.},
doi = {10.17188/1283858},
url = {https://www.osti.gov/biblio/1283858}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}