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Title: Materials Data on CaCrO4 by Materials Project

Abstract

CaCrO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.42 Å) and four longer (2.52 Å) Ca–O bond lengths. Cr6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.67 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one Cr6+ atom.

Publication Date:
Other Number(s):
mp-19215
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; CaCrO4; Ca-Cr-O
OSTI Identifier:
1194078
DOI:
10.17188/1194078

Citation Formats

The Materials Project. Materials Data on CaCrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194078.
The Materials Project. Materials Data on CaCrO4 by Materials Project. United States. doi:10.17188/1194078.
The Materials Project. 2020. "Materials Data on CaCrO4 by Materials Project". United States. doi:10.17188/1194078. https://www.osti.gov/servlets/purl/1194078. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194078,
title = {Materials Data on CaCrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCrO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.42 Å) and four longer (2.52 Å) Ca–O bond lengths. Cr6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.67 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one Cr6+ atom.},
doi = {10.17188/1194078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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