首页|(Bi2O3)1-x(Sc2O3)x(x=0.01,0.03,0.05)粉末晶体的制备与晶体结构分析

(Bi2O3)1-x(Sc2O3)x(x=0.01,0.03,0.05)粉末晶体的制备与晶体结构分析

扫码查看
采用固相烧结法制备(Bi2O3)1-x(Sc2O3)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,(Bi2O3)1-x(Sc2O3)x(x=0。01,0。03,0。05)的晶胞体积(分别为 329。3399 Å3、329。5016 Å3、329。3400 Å3)比 Bi2O3 的晶胞体积(330。3658 Å3)小;(Bi2O3)1-x(Sc2O3)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(01)、B(02)、B(03)的大小分别为0。42883 Å2、0。54412 Å2、0。609364 Å2、0。502542Å2、0。4034 Å2、0。61406 Å2、0。74259 Å2;0。43052 Å2、0。52778 Å2、0。51647 Å2、0。382431 Å2、0。320327 Å2、0。516762 Å2、0。76875 Å2 和 0。42347 Å2、0。61022 Å2、0。514476 Å2、0。302724 Å2、0。34725 Å2、0。56175 Å2、0。72125 Å2。确定了(Bi2O3)1-x(Sc2O3)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。
Preparation and crystal structure analysis of(Bi2O3)1-x(Sc2O3)x(x=0.01,0.03,0.05)powder crystal
The(Bi2O3)1-x(Sc2O3)x(x=0.01,0.03,0.05)powder crystals were prepared by solid-phase sin-tering.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(≈329.3399 Å3,329.5016 Å3,329.3400 Å3)of(Bi2O3)1-x(Sc2O3)x(.v=0.01,0.03,0.05)are smaller than that(≈330.3658Å3)of Bi2O3.Atomic thermal vibration isotropic temperature factors B(Sc1),B(Sc2),B(Bi1),B(Bi2),B(O1),B(O2)and B(O3)in(Bi2O3)1-x(Sc2O3)x(x=0.01,0.03,0.05)crystals are respectively 0.42883 Å2,0.54412 Å2,0.609364 Å2,0.502542 Å2,0.4034 Å2,0.61406 Å2 and 0.74259 Å2 for x=0.01;0.43052 Å2,0.52778 Å2,0.51647 Å2,0.382431 Å2,0.320327 Å2,0.516762 Å2 and 0.76875 Å2 for x=0.03;and 0.42347 Å2,61022 Å2,0.514476 Å2,0.302724 Å2,0.34725 Å2,0.56175 Å2 and 0.72125 Å2 for x=0.05.It is determined that the(Bi2O3)1-x(Sc2O3)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.

XRDRietveld refinement methodCrystal structure

王丹丹、刘泽朋、王瑞刚、包桂芝、香莲

展开 >

内蒙古民族大学数理学院,通辽 028043

X射线衍射 Rietveld精修方法 晶体结构

内蒙古自治区自然科学基金内蒙古自治区自然科学基金内蒙古民族大学科学研究基金

2018MS010072014MS0109NMDGP17107

2024

原子与分子物理学报
四川大学,四川省物理学会,中国物理学会原子与分子物理专业委员会

原子与分子物理学报

北大核心
影响因子:0.296
ISSN:1000-0364
年,卷(期):2024.41(1)
  • 19