KInSe_2的中温固相合成及结构表征

Solid State Synthesis at Intermediate Temperature and Structural Characterization of KInSe2

采用反应性熔盐法,以n(K_2Se_3):n(In):n(Se)=1:1:5的摩尔比,在500℃下反应5d,生成淡黄色柱状晶体KInSe_2.该晶体属于单斜晶系,空间群为C_2/c,晶胞参数,a=1.1414(2)nm,b=1.1410(2)nm,c=1.5586(3)nm,β=100.60(3)°Z=16,R=0.0656.KInSe_2晶体具有层状结构,每层由具有二维网状结构的[InSe_2]^-负离子和K^+组成,层与层之间按ABAB方式堆积.

A ternary metal selenide KInSe2 has been synthesized by use of the reactive molten salt method.The reactants with molar ratio of n(K2Se3): n(In): n(Se) = 1:1:5 were reacted at 500() for 5 days. The crystal structure of KInSe2 was determined by X - ray structure analysis. KInSe2 belongs to monoclinic system with space group C2/c . The unit cell parameters are a = 1.1414(2)nm, b = 1.1410(2)nm, c = 1.5586(3) nm, V= 1.9952(6)nm3, Z = 16. KInSe2 is a layered crystal containing 2D network of 2 [ InSe2 ]- anions and K+ cations. The layers are packed in the sequence ABAB in the crystal. There are two crystallographicallyindependent In atoms, both of which are coordinated to four u2 Se atoms to form slight distorted tetrahedra. Of the five crystallographically independent Se atoms, Se(3) and Se(5) are located on 2 - fold axes(4e). The K+ ions are six - coordinated to Se.