Fa Ming GAO, Dong Chun LI, Yan Zhi WANG, Yong Jun TIAN, Min Zi CHEN, Si Yuan ZHANG
中国化学快报. 2002, 13(04): 367-370.
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By using the chemical bond theory of dielectric description,the chemical bond parameters of (Tl,Pb)-1223 was calculated.The results show that the Sr-O,Tl-O,and Ca-O types of bond have higher ionic character and the Cu-O types of bond have more covalent character.Mössbauer isomer shifts of 57Fe and 119Sn doped in (Tl,Pb)-1223 were calculated by using the chemical environmental factor,he,defined by covalency and electronic polarizability.Four valence state tin and three valence iron sites were identified in 57Fe,and 119Sn doped (Tl,Pb)-1223 superconductor.We conclude that all of the Fe atoms substitute the Cu at square planar Cu (1) site,whereas Sn prefers to substitute the square pyramidal Cu (2) site.