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Title: Materials Data on LiSn2(PO4)3 by Materials Project

Abstract

LiSn2P3O12 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two water molecules and one LiSn2P3O11 ribbon oriented in the (1, 1, 0) direction. In the LiSn2P3O11 ribbon, Li1+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.61 Å) and one longer (1.68 Å) Li–O bond length. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 1.78–2.14 Å. In the second Sn4+ site, Sn4+ is bonded in a distorted linear geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.30–2.56 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.34–1.68 Å. In the second 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 1.68–1.89 Å. In the third P5+ site, P5+ is bonded in a distorted water-like geometry to threemore » O2- atoms. There are a spread of P–O bond distances ranging from 1.26–2.51 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the tenth O2- site, O2- is bonded in a water-like geometry to one Sn4+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-780235
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; LiSn2(PO4)3; Li-O-P-Sn
OSTI Identifier:
1306929
DOI:
10.17188/1306929

Citation Formats

The Materials Project. Materials Data on LiSn2(PO4)3 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1306929.
The Materials Project. Materials Data on LiSn2(PO4)3 by Materials Project. United States. doi:10.17188/1306929.
The Materials Project. 2014. "Materials Data on LiSn2(PO4)3 by Materials Project". United States. doi:10.17188/1306929. https://www.osti.gov/servlets/purl/1306929. Pub date:Mon Feb 24 00:00:00 EST 2014
@article{osti_1306929,
title = {Materials Data on LiSn2(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSn2P3O12 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two water molecules and one LiSn2P3O11 ribbon oriented in the (1, 1, 0) direction. In the LiSn2P3O11 ribbon, Li1+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.61 Å) and one longer (1.68 Å) Li–O bond length. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 1.78–2.14 Å. In the second Sn4+ site, Sn4+ is bonded in a distorted linear geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 1.30–2.56 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.34–1.68 Å. In the second 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 1.68–1.89 Å. In the third P5+ site, P5+ is bonded in a distorted water-like geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.26–2.51 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Sn4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Sn4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ atom. In the tenth O2- site, O2- is bonded in a water-like geometry to one Sn4+ and one P5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one P5+ atom.},
doi = {10.17188/1306929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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