U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgTiO3 by Materials Project
Abstract
MgTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are three shorter (2.07 Å) and three longer (2.18 Å) Mg–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are three shorter (1.88 Å) and three longer (2.13 Å) Ti–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Ti4+ atoms.
- Publication Date:
- Other Number(s):
- mp-3771
- 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-Ti; MgTiO3; crystal structure
- OSTI Identifier:
- 1207400
- DOI:
- https://doi.org/10.17188/1207400
Citation Formats
Materials Data on MgTiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207400.
Materials Data on MgTiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1207400
2020.
"Materials Data on MgTiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1207400. https://www.osti.gov/servlets/purl/1207400. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1207400,
title = {Materials Data on MgTiO3 by Materials Project},
abstractNote = {MgTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are three shorter (2.07 Å) and three longer (2.18 Å) Mg–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are three shorter (1.88 Å) and three longer (2.13 Å) Ti–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1207400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}