U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2HfO4 by Materials Project
Abstract
Sr2HfO4 crystallizes in the orthorhombic Pbam 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 2.50–2.98 Å. Hf4+ is bonded to six O2- atoms to form edge-sharing HfO6 octahedra. There are two shorter (2.07 Å) and four longer (2.17 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Hf4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Hf4+ atoms.
- Publication Date:
- Other Number(s):
- mp-752537
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Hf-O-Sr; Sr2HfO4; crystal structure
- OSTI Identifier:
- 1288626
- DOI:
- https://doi.org/10.17188/1288626
Citation Formats
Materials Data on Sr2HfO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288626.
Materials Data on Sr2HfO4 by Materials Project. United States. doi:https://doi.org/10.17188/1288626
2020.
"Materials Data on Sr2HfO4 by Materials Project". United States. doi:https://doi.org/10.17188/1288626. https://www.osti.gov/servlets/purl/1288626. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1288626,
title = {Materials Data on Sr2HfO4 by Materials Project},
abstractNote = {Sr2HfO4 crystallizes in the orthorhombic Pbam 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 2.50–2.98 Å. Hf4+ is bonded to six O2- atoms to form edge-sharing HfO6 octahedra. There are two shorter (2.07 Å) and four longer (2.17 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+ and one Hf4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Hf4+ atoms.},
doi = {10.17188/1288626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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