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Title: Materials Data on LiSnPO4 by Materials Project

Abstract

LiSnPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.15 Å. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.22–2.26 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Sn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Sn2+, and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-26299
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; LiSnPO4; Li-O-P-Sn
OSTI Identifier:
1201146
DOI:
https://doi.org/10.17188/1201146

Citation Formats

The Materials Project. Materials Data on LiSnPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201146.
The Materials Project. Materials Data on LiSnPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1201146
The Materials Project. 2020. "Materials Data on LiSnPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1201146. https://www.osti.gov/servlets/purl/1201146. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1201146,
title = {Materials Data on LiSnPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSnPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.15 Å. Sn2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.22–2.26 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn2+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Sn2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Sn2+, and one P5+ atom.},
doi = {10.17188/1201146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}