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Title: Materials Data on LiSnP2O7 by Materials Project

Abstract

LiSnP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.67–2.30 Å. Sn3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.79 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.16–2.08 Å. In the second P5+ site, P5+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.32–2.36 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sn3+more » and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+, one Sn3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two P5+ atoms.« less

Publication Date:
Other Number(s):
mp-26710
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; LiSnP2O7; Li-O-P-Sn
OSTI Identifier:
1201223
DOI:
10.17188/1201223

Citation Formats

The Materials Project. Materials Data on LiSnP2O7 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1201223.
The Materials Project. Materials Data on LiSnP2O7 by Materials Project. United States. doi:10.17188/1201223.
The Materials Project. 2014. "Materials Data on LiSnP2O7 by Materials Project". United States. doi:10.17188/1201223. https://www.osti.gov/servlets/purl/1201223. Pub date:Thu Feb 20 00:00:00 EST 2014
@article{osti_1201223,
title = {Materials Data on LiSnP2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSnP2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.67–2.30 Å. Sn3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.79 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.16–2.08 Å. In the second P5+ site, P5+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.32–2.36 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sn3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+, one Sn3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Sn3+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two P5+ atoms.},
doi = {10.17188/1201223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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