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Title: Materials Data on SnPO3F by Materials Project

Abstract

SnPO3F crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SnPO3F sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.22 Å. P5+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.52 Å) and two longer (1.53 Å) P–O bond length. The P–F bond length is 1.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one P5+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.

Publication Date:
Other Number(s):
mp-555838
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; SnPO3F; F-O-P-Sn
OSTI Identifier:
1269016
DOI:
10.17188/1269016

Citation Formats

The Materials Project. Materials Data on SnPO3F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269016.
The Materials Project. Materials Data on SnPO3F by Materials Project. United States. doi:10.17188/1269016.
The Materials Project. 2020. "Materials Data on SnPO3F by Materials Project". United States. doi:10.17188/1269016. https://www.osti.gov/servlets/purl/1269016. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269016,
title = {Materials Data on SnPO3F by Materials Project},
author = {The Materials Project},
abstractNote = {SnPO3F crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two SnPO3F sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.18–2.22 Å. P5+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.52 Å) and two longer (1.53 Å) P–O bond length. The P–F bond length is 1.59 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one P5+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1269016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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