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Title: Materials Data on Sr2InF7 by Materials Project

Abstract

Sr2InF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two 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 2.49–2.73 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 2.49–2.71 Å. In3+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of In–F bond distances ranging from 2.13–2.23 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one In3+ atom. In the fifth F1- site, F1- is bonded to three Sr2+more » and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the sixth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the seventh F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-14283
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; Sr2InF7; F-In-Sr
OSTI Identifier:
1190593
DOI:
10.17188/1190593

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr2InF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190593.
Persson, Kristin, & Project, Materials. Materials Data on Sr2InF7 by Materials Project. United States. doi:10.17188/1190593.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr2InF7 by Materials Project". United States. doi:10.17188/1190593. https://www.osti.gov/servlets/purl/1190593. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190593,
title = {Materials Data on Sr2InF7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr2InF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two 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 2.49–2.73 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 2.49–2.71 Å. In3+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of In–F bond distances ranging from 2.13–2.23 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one In3+ atom. In the fifth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the sixth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the seventh F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra.},
doi = {10.17188/1190593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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