U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSiO3 by Materials Project
Abstract
MgSiO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.30 Å. Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.81 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-4391
- 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:
- 1208120
- DOI:
- https://doi.org/10.17188/1208120
Citation Formats
The Materials Project. Materials Data on MgSiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208120.
The Materials Project. Materials Data on MgSiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1208120
The Materials Project. 2020.
"Materials Data on MgSiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1208120. https://www.osti.gov/servlets/purl/1208120. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1208120,
title = {Materials Data on MgSiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSiO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.30 Å. Si4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There is two shorter (1.81 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 = {10.17188/1208120},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}