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DOE OSTI · 1747359

Materials Data on LiMgH14Cl3O7 by Materials Project

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Abstract

Mg(H2O)6LiH2OCl3 is Tetraauricupride structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one magnesium;hexahydrate molecule and one LiH2OCl3 cluster. In the LiH2OCl3 cluster, Li1+ is bonded in a tetrahedral geometry to one O2- and three Cl1- atoms. The Li–O bond length is 1.94 Å. There are a spread of Li–Cl bond distances ranging from 2.37–2.45 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two H1+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Li1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Li1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Li1+ atom.

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36 MATERIALS SCIENCECl-H-Li-Mg-Ocrystal structureLiMgH14Cl3O7

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2020-05-02. Materials Data on LiMgH14Cl3O7 by Materials Project. https://doi.org/10.17188/1747359

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