摘要
The Sr3Tl5 phase was prepared by high temperature synthesis techniques through reaction of the high purity elements in the welded Nb tubes.The structure established through X-ray structural analysis shows the compound is a good hypoelectronic trielide example of the Pu3Pd5 structural type in which skeletal electron count is lower than in a traditional Zintl phase(Cmcm,Z = 4;a = 10.604(2) ,b = 8.675(2) ,and c = 10.985(2) ;V = 1010.5(3) 3).The strontium size and the compound's polarity appear responsible for this thallium phase crystallization in the Pu3Pd5 family type rather than the isoelectronic Sr3In5 version.A first-principle electronic structure calculation(LMTO) demonstrates that the strontium atoms participate substantially in Sr-Tl bonding in the structure.
The Sr3Tl5 phase was prepared by high temperature synthesis techniques through reaction of the high purity elements in the welded Nb tubes.The structure established through X-ray structural analysis shows the compound is a good hypoelectronic trielide example of the Pu3Pd5 structural type in which skeletal electron count is lower than in a traditional Zintl phase（Cmcm,Z = 4;a = 10.604（2） ,b = 8.675（2） ,and c = 10.985（2） ;V = 1010.5（3） 3）.The strontium size and the compound＇s polarity appear responsible for this thallium phase crystallization in the Pu3Pd5 family type rather than the isoelectronic Sr3In5 version.A first-principle electronic structure calculation（LMTO） demonstrates that the strontium atoms participate substantially in Sr-Tl bonding in the structure.
基金
supporting (by his DOE grant DE-AC02-07CH11358) the visit of J. C. Dai to Ames Laboratory, where principal part of this research was carried out
the National Natural Science Foundation of China (50971063)
the Natural Science Foundation of Fujian Province of China (2010J01042 & 2011J01047)
the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry of China for supporting
