DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr2HfO4 by Materials Project

Abstract

Sr2HfO4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.87 Å. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.07 Å) and two longer (2.12 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Hf4+ atom to form a mixture of distorted edge and corner-sharing OSr5Hf octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Hf4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-752581
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2HfO4; Hf-O-Sr
OSTI Identifier:
1288702
DOI:
https://doi.org/10.17188/1288702

Citation Formats

The Materials Project. Materials Data on Sr2HfO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288702.
The Materials Project. Materials Data on Sr2HfO4 by Materials Project. United States. doi:https://doi.org/10.17188/1288702
The Materials Project. 2020. "Materials Data on Sr2HfO4 by Materials Project". United States. doi:https://doi.org/10.17188/1288702. https://www.osti.gov/servlets/purl/1288702. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288702,
title = {Materials Data on Sr2HfO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2HfO4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.87 Å. Hf4+ is bonded to six O2- atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are four shorter (2.07 Å) and two longer (2.12 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Hf4+ atom to form a mixture of distorted edge and corner-sharing OSr5Hf octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Hf4+ atoms.},
doi = {10.17188/1288702},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}