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Title: Materials Data on ZnO2 by Materials Project

Abstract

ZnO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with twelve equivalent ZnO6 octahedra and corners with six equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Zn–O bond lengths are 2.14 Å. O is bonded to three equivalent Zn and one O atom to form OZn3O tetrahedra that share corners with three equivalent ZnO6 octahedra and corners with fifteen equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 71°. The O–O bond length is 1.50 Å.

Publication Date:
Other Number(s):
mp-8484
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; ZnO2; O-Zn
OSTI Identifier:
1308129
DOI:
https://doi.org/10.17188/1308129

Citation Formats

The Materials Project. Materials Data on ZnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308129.
The Materials Project. Materials Data on ZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1308129
The Materials Project. 2020. "Materials Data on ZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1308129. https://www.osti.gov/servlets/purl/1308129. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1308129,
title = {Materials Data on ZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with twelve equivalent ZnO6 octahedra and corners with six equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Zn–O bond lengths are 2.14 Å. O is bonded to three equivalent Zn and one O atom to form OZn3O tetrahedra that share corners with three equivalent ZnO6 octahedra and corners with fifteen equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 71°. The O–O bond length is 1.50 Å.},
doi = {10.17188/1308129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}