U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2SiO4 by Materials Project
Abstract
Mg2SiO4 is Ilmenite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with four equivalent MgO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.07 Å) and four longer (2.11 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with twelve equivalent MgO6 octahedra and corners with six equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–O bond lengths are 2.24 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six MgO6 octahedra and edges with three equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–57°. There is one shorter (1.63 Å) and three longer (1.67 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-554663
- 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; Mg2SiO4; Mg-O-Si
- OSTI Identifier:
- 1268026
- DOI:
- https://doi.org/10.17188/1268026
Citation Formats
The Materials Project. Materials Data on Mg2SiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268026.
The Materials Project. Materials Data on Mg2SiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1268026
The Materials Project. 2020.
"Materials Data on Mg2SiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1268026. https://www.osti.gov/servlets/purl/1268026. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268026,
title = {Materials Data on Mg2SiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2SiO4 is Ilmenite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with two equivalent SiO4 tetrahedra, edges with four equivalent MgO6 octahedra, and edges with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.07 Å) and four longer (2.11 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with twelve equivalent MgO6 octahedra and corners with six equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–O bond lengths are 2.24 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six MgO6 octahedra and edges with three equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–57°. There is one shorter (1.63 Å) and three longer (1.67 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mg2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Si4+ atom.},
doi = {10.17188/1268026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}