摘要
用反应性熔盐法在中温(500℃)下合成KCuZrS_3.该晶体属正交晶系,空间群为Cmem,Z=4.晶胞参数,a=0.3883(7)um,b=l.444(2)um.c=1.0186(3)nm .V=0.5715(2)nm^3,D_c=5006mg·nm^(-3).M_r=430.74.F(000)=760,μ=25.217nm^(-1),λ(MoKa)=0.0710nm.R[R^2>2σ(F^2)]=0.0471.KCuZrSe_3具有层状结构.[CuZrSe_3]^-为带负电的层,按ABAB方式堆积、K^+位于相邻两层之间.Zr^(4+)与Se^(2-)成八面体配位,Cu^+与Se^(2-)为四面体配位,K^+与Se^(2-)为四方反棱柱配位.配位多面体都有一定的变形.反应性熔盐法中温合成的这一晶体为热力学稳定相.
KCuZrSe3 has been synthesized by the reactive flux method and structurally characterized by single-crystal X-ray diffraction. The crystal data: KCuZrSe3, orthorhombic, Cmcm, Z = 4, a =0.3883 (7)nm, b = 1.4447(2)run, c = 1.0186(3)nm, V =0.5715(2)nm3, Dc = 5006 mg nm-3. Mr =430.74, F(000)=760, μ =25.217mm-1, λ(Mo Ka) =0.07107nm, R[F2 >2σ(F2)] = 0.0471. The crystal is bull by [CuZrSe3]- layers separated by K+ cations. In the [CuZrSe3]- layer, Zr4+ and Cu+ are respectively eight-four-coordinated to Se2- . K+ cations are coordinated by eight Se2- in an antitetragonal prismitic arrangment. The crystal is a thermodynamically stable phase. It is possible to synthsize the thermodynamically stable phase by reative flux reaction at intermetiate temperature.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1999年第5期497-502,共6页
Acta Chimica Sinica
基金
国家自然科学基金(29673004)资助项目
关键词
KCuZrSe3
中温固相合成
晶体
硫族化合物
硒化物
KCuZrSe3, reactive flux method, solid state synthesis, crystal structure, thermodynamically stable phase
