skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CrHO2 by Materials Project

Abstract

CrOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Cr–O bond distances ranging from 1.99–2.09 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cr3+ and one H1+ atom to form distorted corner-sharing OCr3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cr3+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-626703
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; CrHO2; Cr-H-O
OSTI Identifier:
1278739
DOI:
10.17188/1278739

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CrHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278739.
Persson, Kristin, & Project, Materials. Materials Data on CrHO2 by Materials Project. United States. doi:10.17188/1278739.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CrHO2 by Materials Project". United States. doi:10.17188/1278739. https://www.osti.gov/servlets/purl/1278739. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1278739,
title = {Materials Data on CrHO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CrOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Cr–O bond distances ranging from 1.99–2.09 Å. H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Cr3+ and one H1+ atom to form distorted corner-sharing OCr3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cr3+ and one H1+ atom.},
doi = {10.17188/1278739},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

Dataset:

Save / Share: