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Title: Materials Data on Zn(CuO2)2 by Materials Project

Abstract

Zn(CuO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.86 Å. In the second Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.87 Å) Cu–O bond length. Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.16–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Cu3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two Cu3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cu2 tetrahedra.

Publication Date:
Other Number(s):
mp-752451
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; Zn(CuO2)2; Cu-O-Zn
OSTI Identifier:
1288598
DOI:
https://doi.org/10.17188/1288598

Citation Formats

The Materials Project. Materials Data on Zn(CuO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288598.
The Materials Project. Materials Data on Zn(CuO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1288598
The Materials Project. 2020. "Materials Data on Zn(CuO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1288598. https://www.osti.gov/servlets/purl/1288598. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1288598,
title = {Materials Data on Zn(CuO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn(CuO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.86 Å. In the second Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.87 Å) Cu–O bond length. Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.16–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Cu3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two Cu3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2Cu2 tetrahedra.},
doi = {10.17188/1288598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}