学术论文

      La3ScBi5的合成与晶体结构

      Synthesis and Crystal Structure of La3ScBi5

      摘要:
      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.
      Abstract:
      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.
      Author: PAN Da-Chun SUN Zhong-Ming LEI Xiao-Wu MAO Jiang-Gao
      作者单位: 中科院福建物质结构研究所,结构化学国家重点实验室,福州,350002
      刊 名: 无机化学学报 ISTICSCIPKU
      年,卷(期): 2006, 22(8)
      分类号: O614.33+1 O614.32+1 O614.53+2
      机标分类号: O63 O62
      在线出版日期: 2006年9月11日
      基金项目: 国家自然科学基金,福建省自然科学基金,中国科学院"百人计划"