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DOE OSTI · 1204654

Materials Data on Mg2H2O3 by Materials Project

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Abstract

Mg(OH)2MgO crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg(OH)2MgO sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.08 Å) and three longer (2.17 Å) Mg–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. In the second O2- site, O2- is bonded to six equivalent Mg2+ atoms to form edge-sharing OMg6 octahedra.

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36 MATERIALS SCIENCEcrystal structureH-Mg-OMg2H2O3

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2020-05-04. Materials Data on Mg2H2O3 by Materials Project. https://doi.org/10.17188/1204654

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