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Title: Materials Data on MgSiO3 by Materials Project

Abstract

MgSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Mg–O bond lengths are 2.49 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.76 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Si4+ atoms.

Publication Date:
Other Number(s):
mp-1016928
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:
1349450
DOI:
10.17188/1349450

Citation Formats

The Materials Project. Materials Data on MgSiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349450.
The Materials Project. Materials Data on MgSiO3 by Materials Project. United States. doi:10.17188/1349450.
The Materials Project. 2020. "Materials Data on MgSiO3 by Materials Project". United States. doi:10.17188/1349450. https://www.osti.gov/servlets/purl/1349450. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1349450,
title = {Materials Data on MgSiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Mg–O bond lengths are 2.49 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.76 Å. O2- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Si4+ atoms.},
doi = {10.17188/1349450},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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