U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgTiO3 by Materials Project
Abstract
MgTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Mg–O bond lengths are 2.72 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1016830
- 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:
- 1349470
- DOI:
- https://doi.org/10.17188/1349470
Citation Formats
Materials Data on MgTiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349470.
Materials Data on MgTiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349470
2020.
"Materials Data on MgTiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349470. https://www.osti.gov/servlets/purl/1349470. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1349470,
title = {Materials Data on MgTiO3 by Materials Project},
abstractNote = {MgTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Mg–O bond lengths are 2.72 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1349470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}