skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg2SiO4 by Materials Project

Abstract

Mg2SiO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Mg–O bond distances ranging from 1.96–2.48 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.75 Å) and two longer (1.79 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Si4+ atoms to form a mixture of distorted edge, face, and corner-sharing OMg4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second O2- site, O2- is bonded to five equivalent Mg2+ and one Si4+ atom to form distorted OMg5Si octahedra that share corners with seventeen OMg4Si2 octahedra, edges with eight equivalent OMg5Si octahedra, and faces with four equivalent OMg4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.

Publication Date:
Other Number(s):
mp-7983
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; Mg2SiO4; Mg-O-Si
OSTI Identifier:
1268497
DOI:
https://doi.org/10.17188/1268497

Citation Formats

The Materials Project. Materials Data on Mg2SiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268497.
The Materials Project. Materials Data on Mg2SiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1268497
The Materials Project. 2020. "Materials Data on Mg2SiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1268497. https://www.osti.gov/servlets/purl/1268497. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268497,
title = {Materials Data on Mg2SiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2SiO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Mg–O bond distances ranging from 1.96–2.48 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.75 Å) and two longer (1.79 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Si4+ atoms to form a mixture of distorted edge, face, and corner-sharing OMg4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second O2- site, O2- is bonded to five equivalent Mg2+ and one Si4+ atom to form distorted OMg5Si octahedra that share corners with seventeen OMg4Si2 octahedra, edges with eight equivalent OMg5Si octahedra, and faces with four equivalent OMg4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.},
doi = {10.17188/1268497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}