Phase transition, phase transition temperature and crystal structure of a new compound----Ca₂PdWO₆

摘要

A new compound Ca2PdWO6 has been synthesized by solid state sintering. The phase transition of this compound was investigated by means of differential thermal analysis (DTA), X-ray phase analysis, precise measurement of lattice parameters and other methods. It is discovered that the compound has a displacive phase transition of the first order at (806+5)C. The low temperature phase, a-Ca2PdWO6, belongs to orthorhombic system, with space group Pmm2. Its lattice parameters at room temperature are: a=0.79946nm, b=0.55404nm and c=0.58008nm. The measured density is Dm=6.26g/cm3, and each unit cell contains two formula weights. The high temperature phase, Ca2PdWO6, belongs to the cubic system, with space group fm3m and the lattice parameter is a = 0.810 3 nm at 860C; Z = 4. The calculated density is Dx=5.821g/cm3. The crystal structure of Ca2PdWO6 and Ca,PdWO6 was also determined by means of the X-ray polycrystal diffraction method. The factors influencing phase transition temperature are discussed in detail.