(Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05)粉末晶体的制备与晶体结构分析  

Preparation and crystal structure analysis of(Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05) powder crystal

作　　者：王丹丹 刘泽朋 王瑞刚 包桂芝 香莲[1] WANG Dan-Dan;LIU Ze-Peng;WANG Rui-Gang;BAO Gui-Zhi;XIANG Lian(School of Mathematics and Physics,Inner Mongolia Minzu University,Tongliao 028043,China)

机构地区：[1]内蒙古民族大学数理学院,通辽028043

出　　处：《原子与分子物理学报》2024年第1期81-86,共6页Journal of Atomic and Molecular Physics

基　　金：内蒙古自治区自然科学基金(2018MS01007);内蒙古自治区自然科学基金(2014MS0109);内蒙古民族大学科学研究基金(NMDGP17107)。

摘　　要：采用固相烧结法制备(Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05)粉末晶体,在室温下对几种样品分别进行了X射线衍射实验,并用RIETAN-2000程序中的Rietveld解析法以及VEND、PRIMA和VICS程序分别研究了几种样品的晶体结构、等高电子密度(2D和3D)、原子配位数及原子热振动各向同性因子B等.结果表明,(Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05)的晶胞体积(分别为329.3399A^(3)、329.5016A^(3)、329.3400A^(3))比Bi_(2)O_(3)的晶胞体积(330.3658A^(3))小;(Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05)晶体的原子热振动各向同性温度因子B((Sc1))、B((Sc2))、B((Bi1))、B((Bi2))、B((O1))、B((O_(2)))、B((O3))的大小分别为0.42883A^(2)、0.54412A^(2)、0.609364A^(2)、0.502542A^(2)、0.4034A^(2)、0.61406A^(2)、0.74259A^(2);0.43052A^(2)、0.52778A^(2)、0.51647A^(2)、0.382431A^(2)、0.320327A^(2)、0.516762A^(2)、0.76875A^(2)和0.42347A^(2)、0.61022A^(2)、0.514476A^(2)、0.302724A^(2)、0.34725A^(2)、0.56175A^(2)、0.72125A^(2).确定了(Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05)粉末晶体属于单斜晶系,实现了二维和三维等高电子密度分布的可视化,进一步确定了晶体结构和原子位置.The (Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05) powder crystals were prepared by solid-phase sintering.X-ray diffraction experiments were performed on several samples at room temperature,and was used.The Rietveld analytical method in the RIETAN-2000 program and the VEND,PRIMA and VICS programs were used to study the crystal structures,iso-high electron densities (2D and 3D),atomic coordination numbers and atomic thermal vibration isotropy factors B of these samples.The results show that the unit cell volumes (≈329.3399A^(3),329.5016A^(3),329.3400A^(3)) of (Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05) are smaller than that (≈330.3658A^(3)) of Bi_(2)O_(3).Atomic thermal vibration isotropic temperature factors B(Sc1),B(Sc2),B(Bi1),B(Bi2),B(O1),B(O_(2))and B(O3) in (Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05) crystals are respectively 0.42883A^(2),0.54412A^(2),0.609364A^(2),0.502542A^(2),0.4034A^(2),0.61406A^(2)and 0.74259A^(2) for x=0.01;0.43052A^(2),0.52778A^(2),0.51647A^(2),0.382431A^(2),0.320327A^(2),0.516762A^(2)and 0.76875A^(2)for x=0.03;and0.42347A^(2),61022A^(2),0.514476A^(2),0.302724A^(2),0.34725A^(2),0.56175A^(2)and 0.72125A^(2)for x=0.05.It is determined that the (Bi_(2)O_(3))1-x(Sc_(2)O_(3))x(x=0.01,0.03,0.05) powder crystal belongs to the monoclinic system,and the visualization of two-dimensional and three-dimensional high electron density distributions is realized,The crystal structure and atomic positions were further determined.

关 键 词：X射线衍射 Rietveld精修方法 晶体结构 

分 类 号：O434.1[机械工程—光学工程]