Synthesis and Crystal Structure of ZrP2S6and ZrP2S7

Two new compounds have been synthesized and characterized: ZrP2S6and ZrP2S7. Both were prepared from direct combination of the elements at high temperature using a chemical transporting agent. Single crystal X-ray diffraction and elemental analysis (ICP-AE) were performed on the materials. ZrP2S6crystallized in a tetragonal space group (P-4,a=6.6758(4) ?,c=9.491(1) ?) whereas the ZrP2S7crystallized in a monoclinic space group (C2/c,a=8.614 (1) ?,b=29.684(4) ?,c=8.583(1) ?,beta=120.126°). The ZrP2S6displayed a weak second harmonic generation at 1064 nm.