Abstract The thermal decomposition of Nd(NH2SO3)3 · 2 H2O in a closed tube leads to violet single crystals of Nd(NH2SO3)(SO4) · 1.5 H2O. The compound crystallizes with the space group P1 (Z = 2, a = 689.2, b = 691.4, c = 962.0 pm, α = 109.64, β = 97.00, γ = 109.62°). The triclinic unit cell can be transformed into the respective bodycentered setting I1 (Z = 2, a = 977.9, b = 795.6, c = 1113.0 pm, α = 90.69, β = 115.06, γ = 88.98°) leading to a nearly monoclinic unit cell for the compound. In the crystal structure of Nd(NH2SO3)(SO4) · 1.5 H2O two Nd3+ ions are present. Nd(1)3+ is coordinated by four NH2SO3 – and two SO4 2– ions, and one H2O molecule. Owing to the chelating attack of the sulfate groups, the CN is nine. Nd(2)3+ is surrounded by four monodentate SO4 2– and two NH2SO3 – groups. Two H2O ligands fill up the coordination sphere and lead to a CN of eight. The linkage of the polyhedra leads to a three-dimensional network.
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