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Title: Materials Data on Sn3PO4F3 by Materials Project

Abstract

Sn3F3PO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two equivalent F1- atoms. There are one shorter (2.15 Å) and one longer (2.59 Å) Sn–O bond lengths. There are one shorter (2.12 Å) and one longer (2.33 Å) Sn–F bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one P5+ atom. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-546757
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; Sn3PO4F3; F-O-P-Sn
OSTI Identifier:
1267249
DOI:
10.17188/1267249

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sn3PO4F3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267249.
Persson, Kristin, & Project, Materials. Materials Data on Sn3PO4F3 by Materials Project. United States. doi:10.17188/1267249.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sn3PO4F3 by Materials Project". United States. doi:10.17188/1267249. https://www.osti.gov/servlets/purl/1267249. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267249,
title = {Materials Data on Sn3PO4F3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sn3F3PO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two equivalent F1- atoms. There are one shorter (2.15 Å) and one longer (2.59 Å) Sn–O bond lengths. There are one shorter (2.12 Å) and one longer (2.33 Å) Sn–F bond lengths. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.55 Å) and one longer (1.57 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sn2+ and one P5+ atom. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.},
doi = {10.17188/1267249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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