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DOE OSTI · 1728446

Materials Data on MgO by Materials Project

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Abstract

MgO crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing MgO5 trigonal bipyramids. There are a spread of Mg–O bond distances ranging from 2.03–2.11 Å. In the second Mg2+ site, Mg2+ is bonded to five O2- atoms to form a mixture of corner and edge-sharing MgO5 trigonal bipyramids. There are a spread of Mg–O bond distances ranging from 2.01–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Mg2+ atoms to form a mixture of corner and edge-sharing OMg5 trigonal bipyramids. In the second O2- site, O2- is bonded to five Mg2+ atoms to form a mixture of corner and edge-sharing OMg5 trigonal bipyramids.

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36 MATERIALS SCIENCEcrystal structureMg-OMgO

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2020-05-02. Materials Data on MgO by Materials Project. https://doi.org/10.17188/1728446

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