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Title: Materials Data on Os2O3F7 by Materials Project

Abstract

Os2O3F7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Os2O3F7 clusters. there are two inequivalent Os+6.50+ sites. In the first Os+6.50+ site, Os+6.50+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Os–F bond distances ranging from 1.87–1.99 Å. In the second Os+6.50+ site, Os+6.50+ is bonded in a 6-coordinate geometry to three O2- and three F1- atoms. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.89–2.33 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os+6.50+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two Os+6.50+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In themore » fourth F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to two Os+6.50+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557132
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; Os2O3F7; F-O-Os
OSTI Identifier:
1269713
DOI:
10.17188/1269713

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Os2O3F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269713.
Persson, Kristin, & Project, Materials. Materials Data on Os2O3F7 by Materials Project. United States. doi:10.17188/1269713.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Os2O3F7 by Materials Project". United States. doi:10.17188/1269713. https://www.osti.gov/servlets/purl/1269713. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1269713,
title = {Materials Data on Os2O3F7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Os2O3F7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Os2O3F7 clusters. there are two inequivalent Os+6.50+ sites. In the first Os+6.50+ site, Os+6.50+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Os–F bond distances ranging from 1.87–1.99 Å. In the second Os+6.50+ site, Os+6.50+ is bonded in a 6-coordinate geometry to three O2- and three F1- atoms. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.89–2.33 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os+6.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os+6.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os+6.50+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two Os+6.50+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to two Os+6.50+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os+6.50+ atom.},
doi = {10.17188/1269713},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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