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Title: Materials Data on Mg3Si2O9 by Materials Project

Abstract

Mg3Si2O9 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Mg3Si2O9 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, 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. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with six MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.02–2.10 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three MgO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. All Si–O bond lengths are 1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. Inmore » the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three Mg and one Si atom. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three Mg atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Mg atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Mg atoms.« less

Publication Date:
Other Number(s):
mp-1104479
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg3Si2O9; Mg-O-Si
OSTI Identifier:
1672815
DOI:
https://doi.org/10.17188/1672815

Citation Formats

The Materials Project. Materials Data on Mg3Si2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672815.
The Materials Project. Materials Data on Mg3Si2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1672815
The Materials Project. 2020. "Materials Data on Mg3Si2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1672815. https://www.osti.gov/servlets/purl/1672815. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672815,
title = {Materials Data on Mg3Si2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Si2O9 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Mg3Si2O9 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, 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. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra and edges with six MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.02–2.10 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three MgO6 octahedra and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. All Si–O bond lengths are 1.65 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent 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 distorted rectangular see-saw-like geometry to three Mg and one Si atom. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three Mg atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Mg atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Mg atoms.},
doi = {10.17188/1672815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}