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DOE OSTI · 1204022

Materials Data on CuSe2Br by Materials Project

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Abstract

CuSe2Br crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuSe2Br ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Se1- and two equivalent Br1- atoms to form corner-sharing CuSe2Br2 tetrahedra. Both Cu–Se bond lengths are 2.39 Å. Both Cu–Br bond lengths are 2.45 Å. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. In the second Se1- site, Se1- is bonded in a distorted single-bond geometry to one Cu3+ atom. Br1- is bonded in a water-like geometry to two equivalent Cu3+ atoms.

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36 MATERIALS SCIENCEBr-Cu-Secrystal structureCuSe2Br

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2020-07-15. Materials Data on CuSe2Br by Materials Project. https://doi.org/10.17188/1204022

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36 MATERIALS SCIENCE↗