U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgO by Materials Project
Abstract
MgO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.12 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.12 Å. In the third Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing MgO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. All Mg–O bond lengths are 2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of face, edge, and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt anglesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192189
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; MgO; Mg-O
- OSTI Identifier:
- 1731285
- DOI:
- https://doi.org/10.17188/1731285
Citation Formats
The Materials Project. Materials Data on MgO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1731285.
The Materials Project. Materials Data on MgO by Materials Project. United States. doi:https://doi.org/10.17188/1731285
The Materials Project. 2020.
"Materials Data on MgO by Materials Project". United States. doi:https://doi.org/10.17188/1731285. https://www.osti.gov/servlets/purl/1731285. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731285,
title = {Materials Data on MgO by Materials Project},
author = {The Materials Project},
abstractNote = {MgO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.12 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.12 Å. In the third Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing MgO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. All Mg–O bond lengths are 2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of face, edge, and corner-sharing OMg6 octahedra. The corner-sharing octahedra tilt angles range from 0–47°. In the third O2- site, O2- is bonded to six Mg2+ atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1731285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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