Synthesis and crystal structure of ZrP2S6 and ZrP2S7

Two new compounds have been synthesized and characterized: ZrP2S6 and ZrP2S 7, Both were prepared from direct combination of the elements at high tempe rature using a chemical transporting agent. Single crystal Ii-ray diffracti on and elemental analysis (ICP-AE) were performed on the materials. ZrP2S6 crystallized in a tetragonal space group (P-4, a = 6.6758(4) Angstrom, 9.49 1(1) Angstrom) whereas the ZrP2S7 crystallized in a monoclinic space group (C2/c, a = 8.614(1) Angstrom, b = 29.684( 1) Angstrom, c = 8583(1) Angstrom , beta = 120.126 degrees). The ZrP2S6 displayed a weak second harmonic gene ration at 1064 nm. (C) 1999 Academic Press.