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 monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with two SiO4 tetrahedra, edges with five MgO6 octahedra, and edges with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Mg–O bond distances ranging from 2.05–2.14 Å. In the second 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°. All Mg–O bond lengths are 2.10 Å. In the third Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with twelve MgO6 octahedra and corners with six SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are two shorter (2.24 Å) and four longer (2.26 Å) Mg–O bond lengths. In the fourth Mg2+ site, Mg2+ is bonded to sixmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-560321
- 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:
- 1271403
- DOI:
- https://doi.org/10.17188/1271403
Citation Formats
The Materials Project. Materials Data on Mg2SiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271403.
The Materials Project. Materials Data on Mg2SiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1271403
The Materials Project. 2020.
"Materials Data on Mg2SiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1271403. https://www.osti.gov/servlets/purl/1271403. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1271403,
title = {Materials Data on Mg2SiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2SiO4 is Ilmenite-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with two SiO4 tetrahedra, edges with five MgO6 octahedra, and edges with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Mg–O bond distances ranging from 2.05–2.14 Å. In the second 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°. All Mg–O bond lengths are 2.10 Å. In the third Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with twelve MgO6 octahedra and corners with six SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are two shorter (2.24 Å) and four longer (2.26 Å) Mg–O bond lengths. In the fourth Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six SiO4 tetrahedra and edges with six MgO6 octahedra. There are four shorter (2.32 Å) and two longer (2.33 Å) Mg–O bond lengths. In the fifth Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra, edges with six MgO6 octahedra, and edges with two equivalent SiO4 tetrahedra. There are four shorter (2.02 Å) and two longer (2.13 Å) Mg–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six MgO6 octahedra and edges with three MgO6 octahedra. The corner-sharing octahedra tilt angles range from 2–55°. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six MgO6 octahedra and edges with three MgO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There is one shorter (1.62 Å) and three longer (1.68 Å) Si–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three 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. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Mg2+ and one Si4+ atom.},
doi = {10.17188/1271403},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}