CAJ | 학술논문

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.
재아기보호하,장금속단질치우단관중진행고온고상반응득도료일개신적삼원겁성금속간화합물,La3ScBi5.통과X-사선단정연사학정료타적정체결구.La3ScBi5정체속륙방정계,공간군위P63/mcm(No.193),정포삼수위:a=b=0.97573(5)nm,c=0.65592(6)nm,V=0.54341(9)nm3,Z=2.La3ScBi5속반식Hf5Sn3Cu결구류형,기결구특정위Bi적일유직선련화유ScBi6팔면체지간통과공면형성적{ScBi3}련.능대계산표명La3ScBi5정금속도전성.
The new ternary phase, La3ScBi5 was obtained by the high temperature solid-state reactions of the pure metal elements in welded Ta tubes under argon atmosphere. Its structure was established by single-crystal X-ray diffraction. The title compound crystallizes in the hexagonal space group P63/mcm (No.193) with cell parameters of a=b=0.975 73(5) nm, c=0.655 92(6) nm, V=0.543 41(9) nm3, and Z=2. The structure of La3ScBi5 belongs to the "anti" Hf5Sn3Cu type, and features 1D linear Bi chains and {ScBi3} chains composed of face-sharing ScBi6 octahedra. Band calculations indicate that La3ScBi5 is metallic. CSD: 416609.