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Title: Materials Data on Cr2CuO4 by Materials Project

Abstract

CuCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent CrO6 octahedra. All Cr–O bond lengths are 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 57–64°. All Cu–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1103973
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cr2CuO4; Cr-Cu-O
OSTI Identifier:
1666919
DOI:
https://doi.org/10.17188/1666919

Citation Formats

The Materials Project. Materials Data on Cr2CuO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666919.
The Materials Project. Materials Data on Cr2CuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1666919
The Materials Project. 2020. "Materials Data on Cr2CuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1666919. https://www.osti.gov/servlets/purl/1666919. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1666919,
title = {Materials Data on Cr2CuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent CrO6 octahedra. All Cr–O bond lengths are 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 57–64°. All Cu–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.},
doi = {10.17188/1666919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}