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Title: Materials Data on SrHfO3 by Materials Project

Abstract

SrHfO3 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 HfO6 octahedra. All Sr–O bond lengths are 2.93 Å. 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 SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.07 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Hf4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4551
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; SrHfO3; Hf-O-Sr
OSTI Identifier:
1208247
DOI:
10.17188/1208247

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrHfO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208247.
Persson, Kristin, & Project, Materials. Materials Data on SrHfO3 by Materials Project. United States. doi:10.17188/1208247.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrHfO3 by Materials Project". United States. doi:10.17188/1208247. https://www.osti.gov/servlets/purl/1208247. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1208247,
title = {Materials Data on SrHfO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SrHfO3 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 HfO6 octahedra. All Sr–O bond lengths are 2.93 Å. 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 SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.07 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Hf4+ atoms.},
doi = {10.17188/1208247},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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