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Title: Materials Data on LiPN2 by Materials Project

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.

Publication Date:
Other Number(s):
mp-3524
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiPN2; Li-N-P
OSTI Identifier:
1206965
DOI:
https://doi.org/10.17188/1206965

Citation Formats

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