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Title: Materials Data on LiP5 by Materials Project

Abstract

LiP5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six P+0.20- atoms. There are a spread of Li–P bond distances ranging from 2.54–3.14 Å. There are five inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.23 Å) and two longer (2.24 Å) P–P bond lengths. In the second P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fourth P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fifth P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two P+0.20- atoms.

Publication Date:
Other Number(s):
mp-2412
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; LiP5; Li-P
OSTI Identifier:
1199920
DOI:
https://doi.org/10.17188/1199920

Citation Formats

The Materials Project. Materials Data on LiP5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199920.
The Materials Project. Materials Data on LiP5 by Materials Project. United States. doi:https://doi.org/10.17188/1199920
The Materials Project. 2020. "Materials Data on LiP5 by Materials Project". United States. doi:https://doi.org/10.17188/1199920. https://www.osti.gov/servlets/purl/1199920. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1199920,
title = {Materials Data on LiP5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiP5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six P+0.20- atoms. There are a spread of Li–P bond distances ranging from 2.54–3.14 Å. There are five inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.23 Å) and two longer (2.24 Å) P–P bond lengths. In the second P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fourth P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fifth P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two P+0.20- atoms.},
doi = {10.17188/1199920},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}