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Title: Materials Data on MgO by Materials Project

Abstract

MgO crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.95–2.09 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.03 Å. In the third Mg2+ site, Mg2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.95–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Mg2+ atoms to form a mixture of edge and corner-sharing OMg4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to four Mg2+ atoms. In the third O2- site, O2- is bonded to four Mg2+ atoms to form a mixture of edge and corner-sharing OMg4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-1191789
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; MgO; Mg-O
OSTI Identifier:
1724820
DOI:
https://doi.org/10.17188/1724820

Citation Formats

The Materials Project. Materials Data on MgO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724820.
The Materials Project. Materials Data on MgO by Materials Project. United States. doi:https://doi.org/10.17188/1724820
The Materials Project. 2020. "Materials Data on MgO by Materials Project". United States. doi:https://doi.org/10.17188/1724820. https://www.osti.gov/servlets/purl/1724820. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1724820,
title = {Materials Data on MgO by Materials Project},
author = {The Materials Project},
abstractNote = {MgO crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.95–2.09 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.03 Å. In the third Mg2+ site, Mg2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.95–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Mg2+ atoms to form a mixture of edge and corner-sharing OMg4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to four Mg2+ atoms. In the third O2- site, O2- is bonded to four Mg2+ atoms to form a mixture of edge and corner-sharing OMg4 trigonal pyramids.},
doi = {10.17188/1724820},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Microstructures and dielectric tunable properties of Ba0.5Sr0.5TiO3–MgO–Mg2TiO4 composite ceramics
journal, February 2013


Thermodynamic Activities and Distributions of Calcium and Magnesium Between Silicon and CaO-MgO-SiO2 Slags at 1873 K (1600 °C)
journal, January 2015