DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CaZnO3 by Materials Project

Abstract

CaZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent ZnO6 octahedra. All Ca–O bond lengths are 2.74 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 1.94 Å. O is bonded in a distorted linear geometry to four equivalent Ca and two equivalent Zn atoms.

Authors:
Publication Date:
Other Number(s):
mp-1183540
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; CaZnO3; Ca-O-Zn
OSTI Identifier:
1713371
DOI:
https://doi.org/10.17188/1713371

Citation Formats

The Materials Project. Materials Data on CaZnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1713371.
The Materials Project. Materials Data on CaZnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1713371
The Materials Project. 2020. "Materials Data on CaZnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1713371. https://www.osti.gov/servlets/purl/1713371. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1713371,
title = {Materials Data on CaZnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent ZnO6 octahedra. All Ca–O bond lengths are 2.74 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent ZnO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 1.94 Å. O is bonded in a distorted linear geometry to four equivalent Ca and two equivalent Zn atoms.},
doi = {10.17188/1713371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}