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DOE OSTI · 1288419

Materials Data on CrH12(ClO2)3 by Materials Project

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Abstract

CrH12(O2Cl)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cr3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Cr–O bond lengths are 2.00 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.05 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.04 Å. O2- is bonded in a distorted trigonal planar geometry to one Cr3+ and two H1+ atoms. Cl1- is bonded in a 4-coordinate geometry to four H1+ atoms.

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36 MATERIALS SCIENCECl-Cr-H-OCrH12(ClO2)3crystal structure

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2020-05-02. Materials Data on CrH12(ClO2)3 by Materials Project. https://doi.org/10.17188/1288419

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