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Title: Materials Data on Sr4Zn3F14 by Materials Project

Abstract

Sr4Zn3F14 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.57–2.72 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.70 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.71 Å. Zn2+ is bonded to five F1- atoms to form distorted corner-sharing ZnF5 trigonal bipyramids. There are a spread of Zn–F bond distances ranging from 1.99–2.05 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Sr2+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Zn2+ atoms. In the fourth F1- site, F1- is bonded tomore » four Sr2+ atoms to form a mixture of distorted edge and corner-sharing FSr4 tetrahedra. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Sr2+ and one Zn2+ atom.« less

Publication Date:
Other Number(s):
mp-28802
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; Sr4Zn3F14; F-Sr-Zn
OSTI Identifier:
1202857
DOI:
10.17188/1202857

Citation Formats

The Materials Project. Materials Data on Sr4Zn3F14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202857.
The Materials Project. Materials Data on Sr4Zn3F14 by Materials Project. United States. doi:10.17188/1202857.
The Materials Project. 2020. "Materials Data on Sr4Zn3F14 by Materials Project". United States. doi:10.17188/1202857. https://www.osti.gov/servlets/purl/1202857. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1202857,
title = {Materials Data on Sr4Zn3F14 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4Zn3F14 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.57–2.72 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.70 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.71 Å. Zn2+ is bonded to five F1- atoms to form distorted corner-sharing ZnF5 trigonal bipyramids. There are a spread of Zn–F bond distances ranging from 1.99–2.05 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Sr2+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Zn2+ atoms. In the fourth F1- site, F1- is bonded to four Sr2+ atoms to form a mixture of distorted edge and corner-sharing FSr4 tetrahedra. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Sr2+ and one Zn2+ atom.},
doi = {10.17188/1202857},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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