U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgO2 by Materials Project
Abstract
MgO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with twelve equivalent MgO6 octahedra and corners with six equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 69°. All Mg–O bond lengths are 2.11 Å. O is bonded to three equivalent Mg and one O atom to form OMg3O tetrahedra that share corners with three equivalent MgO6 octahedra and corners with fifteen equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 72°. The O–O bond length is 1.51 Å.
- Publication Date:
- Other Number(s):
- mp-2589
- 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; Mg-O; MgO2; crystal structure
- OSTI Identifier:
- 1201070
- DOI:
- https://doi.org/10.17188/1201070
Citation Formats
Materials Data on MgO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201070.
Materials Data on MgO2 by Materials Project. United States. doi:https://doi.org/10.17188/1201070
2020.
"Materials Data on MgO2 by Materials Project". United States. doi:https://doi.org/10.17188/1201070. https://www.osti.gov/servlets/purl/1201070. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1201070,
title = {Materials Data on MgO2 by Materials Project},
abstractNote = {MgO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with twelve equivalent MgO6 octahedra and corners with six equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 69°. All Mg–O bond lengths are 2.11 Å. O is bonded to three equivalent Mg and one O atom to form OMg3O tetrahedra that share corners with three equivalent MgO6 octahedra and corners with fifteen equivalent OMg3O tetrahedra. The corner-sharing octahedral tilt angles are 72°. The O–O bond length is 1.51 Å.},
doi = {10.17188/1201070},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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