U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfSO by Materials Project
Abstract
HfSO crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hf4+ is bonded in a 3-coordinate geometry to four equivalent S2- and three equivalent O2- atoms. There are one shorter (2.57 Å) and three longer (2.72 Å) Hf–S bond lengths. All Hf–O bond lengths are 2.08 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Hf4+ and seven equivalent O2- atoms. There are a spread of S–O bond distances ranging from 2.95–3.20 Å. O2- is bonded in a trigonal planar geometry to three equivalent Hf4+ and seven equivalent S2- atoms.
- Publication Date:
- Other Number(s):
- mp-7787
- 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-S; HfSO; crystal structure
- OSTI Identifier:
- 1305705
- DOI:
- https://doi.org/10.17188/1305705
Citation Formats
Materials Data on HfSO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305705.
Materials Data on HfSO by Materials Project. United States. doi:https://doi.org/10.17188/1305705
2020.
"Materials Data on HfSO by Materials Project". United States. doi:https://doi.org/10.17188/1305705. https://www.osti.gov/servlets/purl/1305705. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1305705,
title = {Materials Data on HfSO by Materials Project},
abstractNote = {HfSO crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hf4+ is bonded in a 3-coordinate geometry to four equivalent S2- and three equivalent O2- atoms. There are one shorter (2.57 Å) and three longer (2.72 Å) Hf–S bond lengths. All Hf–O bond lengths are 2.08 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Hf4+ and seven equivalent O2- atoms. There are a spread of S–O bond distances ranging from 2.95–3.20 Å. O2- is bonded in a trigonal planar geometry to three equivalent Hf4+ and seven equivalent S2- atoms.},
doi = {10.17188/1305705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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