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Title: Materials Data on SrZrO3 by Materials Project

Abstract

SrZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. All Sr–O bond lengths are 2.97 Å. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.10 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Zr4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3323
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; SrZrO3; O-Sr-Zr
OSTI Identifier:
1206525
DOI:
10.17188/1206525

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrZrO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206525.
Persson, Kristin, & Project, Materials. Materials Data on SrZrO3 by Materials Project. United States. doi:10.17188/1206525.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrZrO3 by Materials Project". United States. doi:10.17188/1206525. https://www.osti.gov/servlets/purl/1206525. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1206525,
title = {Materials Data on SrZrO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent ZrO6 octahedra. All Sr–O bond lengths are 2.97 Å. Zr4+ is bonded to six equivalent O2- atoms to form ZrO6 octahedra that share corners with six equivalent ZrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.10 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Zr4+ atoms.},
doi = {10.17188/1206525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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