Abstract
The new phases α-NaSbP2S6 and β-NaSbP2S6 were synthesized by ceramic and reactive flux methods at 773K. The structures of α-NaSbP2S6 and β-NaSbP2S6 were determined by the single-crystal X-ray diffraction technique. α-NaSbP2S6 crystallizes in the monoclinic space group P21/c with a=11.231(2)Å, b=7.2807(15)Å, c=11.640(2)Å, β=108.99(3)°, V=900.0(3)Å3 and z=4. β-NaSbP2S6 crystallizes in the monoclinic space group P21 with a=6.6167(13)Å, b=7.3993(15)Å, c=9.895(2)Å, β=92.12(3) °, V=484.10(17)Å3 and z=2.The α- and β-phases of NaSbP2S6 are closely related, the main difference lies in the stacking of the [Sb[P2S6]]nn− layers. The structure of α-NaSbP2S6 consists of two condensed layers (MPS3 type) to give an ABAB… sequence with Na+ cations located in the interlayer space. The packing of β-NaSbP2S6 is formed by monolayers of [Sb[P2S6]]nn− stacked in an AA… fashion separated by a layer of Na+ cations. Both phases are derivates of the M1+M3+P2Q6 family.The optical band gaps of α-NaSbP2S6 and β-NaSbP2S6 were determined by UV–vis diffuse reflectance measurements to be 2.17 and 2.25eV, respectively.
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