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Title: Materials Data on MgSiO3 by Materials Project

Abstract

MgSiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.46 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There is two shorter (1.80 Å) and four longer (1.82 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form distorted corner-sharing OMg2Si2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3547
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; MgSiO3; Mg-O-Si
OSTI Identifier:
1206999
DOI:
10.17188/1206999

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MgSiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206999.
Persson, Kristin, & Project, Materials. Materials Data on MgSiO3 by Materials Project. United States. doi:10.17188/1206999.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MgSiO3 by Materials Project". United States. doi:10.17188/1206999. https://www.osti.gov/servlets/purl/1206999. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206999,
title = {Materials Data on MgSiO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgSiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.04–2.46 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 33–34°. There is two shorter (1.80 Å) and four longer (1.82 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form distorted corner-sharing OMg2Si2 tetrahedra.},
doi = {10.17188/1206999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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