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Title: Materials Data on HfZnO3 by Materials Project

Abstract

HfZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.04 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Zn–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Hf4+ and four equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mp-1016819
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; HfZnO3; Hf-O-Zn
OSTI Identifier:
1349445
DOI:
https://doi.org/10.17188/1349445

Citation Formats

The Materials Project. Materials Data on HfZnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349445.
The Materials Project. Materials Data on HfZnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349445
The Materials Project. 2020. "Materials Data on HfZnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349445. https://www.osti.gov/servlets/purl/1349445. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1349445,
title = {Materials Data on HfZnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HfZnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent ZnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.04 Å. Zn2+ is bonded to twelve equivalent O2- atoms to form ZnO12 cuboctahedra that share corners with twelve equivalent ZnO12 cuboctahedra, faces with six equivalent ZnO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Zn–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Hf4+ and four equivalent Zn2+ atoms.},
doi = {10.17188/1349445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}