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Title: Materials Data on CrO3 by Materials Project

Abstract

CrO3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four CrO3 ribbons oriented in the (0, 0, 1) direction. Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.58–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-772550
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; CrO3; Cr-O
OSTI Identifier:
1301336
DOI:
10.17188/1301336

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CrO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301336.
Persson, Kristin, & Project, Materials. Materials Data on CrO3 by Materials Project. United States. doi:10.17188/1301336.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CrO3 by Materials Project". United States. doi:10.17188/1301336. https://www.osti.gov/servlets/purl/1301336. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301336,
title = {Materials Data on CrO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CrO3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four CrO3 ribbons oriented in the (0, 0, 1) direction. Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.58–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1301336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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