Materials Data on Mg2Si4O11 by Materials Project
Abstract
Mg2Si4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a see-saw-like geometry to four O atoms. There is two shorter (1.95 Å) and two longer (1.97 Å) Mg–O bond length. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four SiO4 tetrahedra and an edgeedge with one MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 1.99–2.12 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are seven inequivalent O sites.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211034
- 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; Mg2Si4O11; Mg-O-Si
- OSTI Identifier:
- 1752948
- DOI:
- https://doi.org/10.17188/1752948
Citation Formats
The Materials Project. Materials Data on Mg2Si4O11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752948.
The Materials Project. Materials Data on Mg2Si4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1752948
The Materials Project. 2020.
"Materials Data on Mg2Si4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1752948. https://www.osti.gov/servlets/purl/1752948. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1752948,
title = {Materials Data on Mg2Si4O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Si4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a see-saw-like geometry to four O atoms. There is two shorter (1.95 Å) and two longer (1.97 Å) Mg–O bond length. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with four SiO4 tetrahedra and an edgeedge with one MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 1.99–2.12 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two Si atoms. 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 bent 120 degrees geometry to two equivalent Mg atoms. In the fourth O site, O is bonded in a linear geometry to two equivalent Si atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to two Mg and one Si atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two Mg and one Si atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two Si atoms.},
doi = {10.17188/1752948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}