U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg3Si2O9 by Materials Project
Abstract
Mg3Si2O9 crystallizes in the hexagonal P6_3cm space group. The structure is two-dimensional and consists of two Mg3Si2O9 sheets oriented in the (0, 0, 1) direction. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with six equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.02–2.11 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent MgO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mg and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Mg atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Mg atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192605
- 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; Mg3Si2O9; Mg-O-Si
- OSTI Identifier:
- 1723140
- DOI:
- https://doi.org/10.17188/1723140
Citation Formats
The Materials Project. Materials Data on Mg3Si2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723140.
The Materials Project. Materials Data on Mg3Si2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1723140
The Materials Project. 2020.
"Materials Data on Mg3Si2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1723140. https://www.osti.gov/servlets/purl/1723140. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1723140,
title = {Materials Data on Mg3Si2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Si2O9 crystallizes in the hexagonal P6_3cm space group. The structure is two-dimensional and consists of two Mg3Si2O9 sheets oriented in the (0, 0, 1) direction. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with six equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.02–2.11 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent MgO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mg and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Mg atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Mg atoms.},
doi = {10.17188/1723140},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}