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Title: Materials Data on Li2Sn(PO3)4 by Materials Project

Abstract

Li2Sn(PO3)4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with eight equivalent PO4 tetrahedra. There are four shorter (2.18 Å) and two longer (2.58 Å) Li–O bond lengths. Sn2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sn–O bond lengths are 2.57 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–73°. There is two shorter (1.50 Å) and two longer (1.64 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Sn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two equivalent P5+ atoms.

Publication Date:
Other Number(s):
mp-26855
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; Li2Sn(PO3)4; Li-O-P-Sn
OSTI Identifier:
1201250
DOI:
10.17188/1201250

Citation Formats

The Materials Project. Materials Data on Li2Sn(PO3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201250.
The Materials Project. Materials Data on Li2Sn(PO3)4 by Materials Project. United States. doi:10.17188/1201250.
The Materials Project. 2020. "Materials Data on Li2Sn(PO3)4 by Materials Project". United States. doi:10.17188/1201250. https://www.osti.gov/servlets/purl/1201250. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1201250,
title = {Materials Data on Li2Sn(PO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Sn(PO3)4 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with eight equivalent PO4 tetrahedra. There are four shorter (2.18 Å) and two longer (2.58 Å) Li–O bond lengths. Sn2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Sn–O bond lengths are 2.57 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 43–73°. There is two shorter (1.50 Å) and two longer (1.64 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Sn2+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two equivalent P5+ atoms.},
doi = {10.17188/1201250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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