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DOE OSTI · 1723888

Materials Data on CuMoS4N by Materials Project

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Abstract

(MoCuS4)2N2 is I4/mcm-derived structured and crystallizes in the tetragonal I-4 space group. The structure is one-dimensional and consists of two ammonia molecules and two MoCuS4 ribbons oriented in the (0, 0, 1) direction. In each MoCuS4 ribbon, Mo6+ is bonded to four equivalent S2- atoms to form MoS4 tetrahedra that share edges with two equivalent CuS4 tetrahedra. All Mo–S bond lengths are 2.22 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share edges with two equivalent MoS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. S2- is bonded in a 2-coordinate geometry to one Mo6+ and one Cu1+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-Mo-N-SCuMoS4N

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2020-05-02. Materials Data on CuMoS4N by Materials Project. https://doi.org/10.17188/1723888

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