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Title: Materials Data on CrSbO4 by Materials Project

Abstract

CrSbO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight equivalent SbO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.01 Å) and two longer (2.04 Å) Cr–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with eight equivalent CrO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (1.98 Å) and four longer (2.03 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cr3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr3+ and two equivalent Sb5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-33857
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; CrSbO4; Cr-O-Sb
OSTI Identifier:
1206672
DOI:
10.17188/1206672

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CrSbO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1206672.
Persson, Kristin, & Project, Materials. Materials Data on CrSbO4 by Materials Project. United States. doi:10.17188/1206672.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on CrSbO4 by Materials Project". United States. doi:10.17188/1206672. https://www.osti.gov/servlets/purl/1206672. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1206672,
title = {Materials Data on CrSbO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CrSbO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with eight equivalent SbO6 octahedra and edges with two equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four shorter (2.01 Å) and two longer (2.04 Å) Cr–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with eight equivalent CrO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (1.98 Å) and four longer (2.03 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cr3+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr3+ and two equivalent Sb5+ atoms.},
doi = {10.17188/1206672},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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