U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfHgO3 by Materials Project
Abstract
HfHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.06 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Hg–O bond lengths are 2.92 Å. O2- is bonded in a linear geometry to two equivalent Hf4+ and four equivalent Hg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1016841
- 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-Hg-O; HfHgO3; crystal structure
- OSTI Identifier:
- 1349448
- DOI:
- https://doi.org/10.17188/1349448
Citation Formats
Materials Data on HfHgO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349448.
Materials Data on HfHgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349448
2020.
"Materials Data on HfHgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349448. https://www.osti.gov/servlets/purl/1349448. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1349448,
title = {Materials Data on HfHgO3 by Materials Project},
abstractNote = {HfHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.06 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Hg–O bond lengths are 2.92 Å. O2- is bonded in a linear geometry to two equivalent Hf4+ and four equivalent Hg2+ atoms.},
doi = {10.17188/1349448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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