U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VHgO3 by Materials Project
Abstract
HgVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.93 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 VO6 octahedra. All Hg–O bond lengths are 2.73 Å. O2- is bonded in a distorted linear geometry to two equivalent V4+ and four equivalent Hg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1016938
- 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; Hg-O-V; VHgO3; crystal structure
- OSTI Identifier:
- 1349447
- DOI:
- https://doi.org/10.17188/1349447
Citation Formats
Materials Data on VHgO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349447.
Materials Data on VHgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349447
2020.
"Materials Data on VHgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349447. https://www.osti.gov/servlets/purl/1349447. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1349447,
title = {Materials Data on VHgO3 by Materials Project},
abstractNote = {HgVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.93 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 VO6 octahedra. All Hg–O bond lengths are 2.73 Å. O2- is bonded in a distorted linear geometry to two equivalent V4+ and four equivalent Hg2+ atoms.},
doi = {10.17188/1349447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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