U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSiO3 by Materials Project
Abstract
MgSiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.46 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There is two shorter (1.80 Å) and four longer (1.82 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form distorted corner-sharing OMg2Si2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3547
- 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; MgSiO3; Mg-O-Si
- OSTI Identifier:
- 1206999
- DOI:
- https://doi.org/10.17188/1206999
Citation Formats
The Materials Project. Materials Data on MgSiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206999.
The Materials Project. Materials Data on MgSiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1206999
The Materials Project. 2020.
"Materials Data on MgSiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1206999. https://www.osti.gov/servlets/purl/1206999. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206999,
title = {Materials Data on MgSiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.46 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There is two shorter (1.80 Å) and four longer (1.82 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form distorted corner-sharing OMg2Si2 tetrahedra.},
doi = {10.17188/1206999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}