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DOE OSTI · 1699868

Materials Data on CuSNO3 by Materials Project

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Abstract

(CuSO3)2N2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six ammonia molecules and three CuSO3 sheets oriented in the (0, 0, 1) direction. In each CuSO3 sheet, Cu3+ is bonded to one S2- and three equivalent O2- atoms to form CuSO3 tetrahedra that share corners with three equivalent SCuO3 tetrahedra. The Cu–S bond length is 2.20 Å. All Cu–O bond lengths are 1.98 Å. S2- is bonded to one Cu3+ and three equivalent O2- atoms to form SCuO3 tetrahedra that share corners with three equivalent CuSO3 tetrahedra. All S–O bond lengths are 1.50 Å. O2- is bonded in a bent 150 degrees geometry to one Cu3+ and one S2- atom.

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36 MATERIALS SCIENCEcrystal structureCu-N-O-SCuSNO3

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2018-07-18. Materials Data on CuSNO3 by Materials Project. https://doi.org/10.17188/1699868

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