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Title: Materials Data on Sr4HfO6 by Materials Project

Abstract

Sr4HfO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.93 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.50 Å. Hf4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Hf–O bond lengths are 2.12 Å. O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Hf4+ atom.

Publication Date:
Other Number(s):
mp-779428
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; Sr4HfO6; Hf-O-Sr
OSTI Identifier:
1306392
DOI:
10.17188/1306392

Citation Formats

The Materials Project. Materials Data on Sr4HfO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306392.
The Materials Project. Materials Data on Sr4HfO6 by Materials Project. United States. doi:10.17188/1306392.
The Materials Project. 2020. "Materials Data on Sr4HfO6 by Materials Project". United States. doi:10.17188/1306392. https://www.osti.gov/servlets/purl/1306392. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1306392,
title = {Materials Data on Sr4HfO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4HfO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.93 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.50 Å. Hf4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Hf–O bond lengths are 2.12 Å. O2- is bonded in a 6-coordinate geometry to five Sr2+ and one Hf4+ atom.},
doi = {10.17188/1306392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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