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化学学报
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化学学报 ›› 1999, Vol. 57 ›› Issue (5): 497-502. 上一篇    下一篇

研究论文

KCuZrSe~3的中温固相合成及晶体结构

汪德强;王平;张丽丹;郭洪猷;崔秀山;舒桂明   

  1. 北京化工大学应用化学系.北京(100029);北京理工大学化学与材料学院;北京 大学地质学系.北京(100871)
  • 发布日期:1999-05-15

Crystal structure of KCuZrSe~3 and solid state synthesis at intermediate temperature

Wang Deqiang;Wang Ping;Zhang Lidan;Guo Hongyou;Cui Xiushan;Shu Guiming   

  1. Beijing Univ Chem Technol, Dept Appl Chem.Beijing(100029);Beijing Univ., Dept. of Geology.Beijing(100871)
  • Published:1999-05-15

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用反应性熔盐法在中温(500℃)下合成KCuZrSe~3。该晶体属正交晶系,空间群为Cmcm,Z=4。晶胞参数,a=0.3883(7)nm,b=1.4447(2)nm,c=1.0186(3)nm。V=0.5715(2)nm^3,Dc=5006mg.nm^-^3,Mr=430.74,F(000)=760,μ=25.217mm^-^1,λ(MoKα)=0.07107nm。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方式规程。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。

关键词: 硒化合物, 锆化合物, 铜化合物, 钾化合物, 固相合成, 晶体结构

KCuZrSe~3 has been synthesized by the reactive flux method and structurally characterized by single-crystal X-ray diffraction. The crystal data: KCuZrSe~3, orthorhombic, Cmcm, Z=4, a=0.3883(7)nm, b=1. 4447(2)nm, c=1.0186(3)nm。V=0.5715(2)nm^3, Dc=5006mg.nm^-^3, Mr=430.74, F(000)=760, μ=25.217mm^-^1, λ (MoKα)=0.07107nm。R[R^2>2σ(F^2)]=0. 0471. The crystal is bult by [CuZrSe~3]^- layers separated by K^+ cations. In the [CuZrSe~3]^- layer, Zr^4^+ and Cu^+ are respectively eight-four-coordinated to Se^2^-. K^+ cations are coordinated by eight Se^2^- in an antitetragonal prismitic arrangment. The crystal is a thermodynamically stable phase. It is possible to synthesize the thermodynamically stable phase by reative flux reaction at intermetiate temperature.

Key words: SELENIUM COMPOUNDS, ZIRCONIUM COMPOUNDS, COPPER COMPOUNDS, POTASSIUM COMPOUNDS, SOLIDPHASE SYNTHESIS, CRYSTAL STRUCTURE

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