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DOE OSTI · 1695360

Materials Data on Cu2H12C4Br3N by Materials Project

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Abstract

Cu2Br3N(CH3)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and two Cu2Br3 ribbons oriented in the (1, 0, 0) direction. In each Cu2Br3 ribbon, Cu1+ is bonded to four Br1- atoms to form a mixture of distorted edge and corner-sharing CuBr4 tetrahedra. There are a spread of Cu–Br bond distances ranging from 2.44–2.62 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms.

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36 MATERIALS SCIENCEBr-C-Cu-H-Ncrystal structureCu2H12C4Br3N

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2020-04-29. Materials Data on Cu2H12C4Br3N by Materials Project. https://doi.org/10.17188/1695360

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