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Title: Materials Data on RuOF4 by Materials Project

Abstract

RuOF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two RuOF4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.10 Å. In the second Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru6+more » atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ru6+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ru6+ atoms.« less

Publication Date:
Other Number(s):
mp-683982
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; RuOF4; F-O-Ru
OSTI Identifier:
1283830
DOI:
https://doi.org/10.17188/1283830

Citation Formats

The Materials Project. Materials Data on RuOF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283830.
The Materials Project. Materials Data on RuOF4 by Materials Project. United States. doi:https://doi.org/10.17188/1283830
The Materials Project. 2020. "Materials Data on RuOF4 by Materials Project". United States. doi:https://doi.org/10.17188/1283830. https://www.osti.gov/servlets/purl/1283830. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1283830,
title = {Materials Data on RuOF4 by Materials Project},
author = {The Materials Project},
abstractNote = {RuOF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two RuOF4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.10 Å. In the second Ru6+ site, Ru6+ is bonded to one O2- and five F1- atoms to form corner-sharing RuOF5 octahedra. The corner-sharing octahedra tilt angles range from 39–40°. The Ru–O bond length is 1.66 Å. There are a spread of Ru–F bond distances ranging from 1.87–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Ru6+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ru6+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ru6+ atom. In the eighth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ru6+ atoms.},
doi = {10.17188/1283830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}