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Title: Materials Data on OsO2F3 by Materials Project

Abstract

OsO2F3 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two OsO2F3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Os7+ sites. In the first Os7+ site, Os7+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Os–O bond length is 1.68 Å. There is three shorter (1.89 Å) and two longer (2.04 Å) Os–F bond length. In the second Os7+ site, Os7+ 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 1.90–2.25 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os7+more » atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Os7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Os7+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557705
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; OsO2F3; F-O-Os
OSTI Identifier:
1269967
DOI:
10.17188/1269967

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on OsO2F3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269967.
Persson, Kristin, & Project, Materials. Materials Data on OsO2F3 by Materials Project. United States. doi:10.17188/1269967.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on OsO2F3 by Materials Project". United States. doi:10.17188/1269967. https://www.osti.gov/servlets/purl/1269967. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269967,
title = {Materials Data on OsO2F3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {OsO2F3 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two OsO2F3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Os7+ sites. In the first Os7+ site, Os7+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Os–O bond length is 1.68 Å. There is three shorter (1.89 Å) and two longer (2.04 Å) Os–F bond length. In the second Os7+ site, Os7+ 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 1.90–2.25 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Os7+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Os7+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Os7+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom.},
doi = {10.17188/1269967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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