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Title: Materials Data on CuO by Materials Project

Abstract

CuO crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.83 Å) and one longer (1.84 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.89–2.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Cu2+ atoms.

Publication Date:
Other Number(s):
mp-510751
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; CuO; Cu-O
OSTI Identifier:
1263074
DOI:
https://doi.org/10.17188/1263074

Citation Formats

The Materials Project. Materials Data on CuO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263074.
The Materials Project. Materials Data on CuO by Materials Project. United States. doi:https://doi.org/10.17188/1263074
The Materials Project. 2020. "Materials Data on CuO by Materials Project". United States. doi:https://doi.org/10.17188/1263074. https://www.osti.gov/servlets/purl/1263074. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1263074,
title = {Materials Data on CuO by Materials Project},
author = {The Materials Project},
abstractNote = {CuO crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.83 Å) and one longer (1.84 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded to five O2- atoms to form distorted edge-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.89–2.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Cu2+ atoms.},
doi = {10.17188/1263074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}