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DOE OSTI · 1202975

Materials Data on Hg2As3Br by Materials Project

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Abstract

Hg2As3Br is Sylvanite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to three As1- and three equivalent Br1- atoms. There are a spread of Hg–As bond distances ranging from 2.60–3.14 Å. There are a spread of Hg–Br bond distances ranging from 3.18–3.66 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to two equivalent Hg2+ and two As1- atoms to form distorted corner-sharing AsHg2As2 trigonal pyramids. There are one shorter (2.47 Å) and one longer (2.49 Å) As–As bond lengths. In the second As1- site, As1- is bonded to two equivalent Hg2+ and two equivalent As1- atoms to form corner-sharing AsHg2As2 tetrahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Hg2+ atoms.

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36 MATERIALS SCIENCEAs-Br-Hgcrystal structureHg2As3Br

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2020-07-17. Materials Data on Hg2As3Br by Materials Project. https://doi.org/10.17188/1202975

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