论文部分内容阅读
在氩气保护下,将金属单质置于钽管中进行高温固相反应得到了一个新的三元极性金属间化合物,La3ScBi5。通过X-射线单晶衍射确定了它的晶体结构。La3ScBi5晶体属六方晶系,空间群为P63/mcm(No.193),晶胞参数为:a=b=0.97573(5)nm,c=0.65592(6)nm,V=0.54341(9)nm3,Z=2。La3ScBi5属反式Hf5Sn3Cu结构类型,其结构特征为Bi的一维直线链和由ScBi6八面体之间通过共面形成的｛ScBi3｝链。能带计算表明La3ScBi5呈金属导电性。
Under the protection of argon, a single ternary polar intermetallic compound, La3ScBi5, was obtained by placing a single metal element in a tantalum tube for high-temperature solid-state reaction. Its crystal structure was confirmed by X-ray single crystal diffraction. The La3ScBi5 crystal belongs to the hexagonal system with the space group of P63 / mcm (No.193). The unit cell parameters are: a = b = 0.97573 (5) nm, c = 0.65592 (6) nm, V = 0.54341 (9) nm3, Z = 2. La3ScBi5 is a trans-Hf5Sn3Cu structure type characterized by a one-dimensional linear chain of Bi and a {ScBi3} chain formed by coplanar formation between ScBi6 octahedra. Band calculations show that La3ScBi5 is metallic.