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Title: Materials Data on Zr3O by Materials Project

Abstract

Zr3O is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both Zr–O bond lengths are 2.29 Å. O is bonded to six equivalent Zr atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.

Publication Date:
Other Number(s):
mp-14024
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; Zr3O; O-Zr
OSTI Identifier:
1189886
DOI:
https://doi.org/10.17188/1189886

Citation Formats

The Materials Project. Materials Data on Zr3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189886.
The Materials Project. Materials Data on Zr3O by Materials Project. United States. doi:https://doi.org/10.17188/1189886
The Materials Project. 2020. "Materials Data on Zr3O by Materials Project". United States. doi:https://doi.org/10.17188/1189886. https://www.osti.gov/servlets/purl/1189886. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189886,
title = {Materials Data on Zr3O by Materials Project},
author = {The Materials Project},
abstractNote = {Zr3O is Upper Bainite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr is bonded in a distorted bent 120 degrees geometry to two equivalent O atoms. Both Zr–O bond lengths are 2.29 Å. O is bonded to six equivalent Zr atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.},
doi = {10.17188/1189886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}