POWDER CELL - A program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns

被引：1904

作者：

Kraus, W

Nolze, G

机构：

[1] Fed. Inst. for Mat. Res. and Testing, D-12205 Berlin

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1996年 / 29卷

关键词：

D O I：

10.1107/S0021889895014920

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The main component of this program is a simultaneous representation of the unit cell and the calculated powder pattern. It allows the manipulation of the crystal structure by moving selected atoms of the asymmetric unit. The resulting powder pattern can be directly compared to experimental data in order to obtain reliable starting values for further computations in refinement programs.

引用

页码：301 / 303

页数：3

共 10 条

[1]

ALLMANN R, 1994, RONTGEN PULVERDIFFRA

[2] CHOICE OF COLLIMATORS FOR A CRYSTAL SPECTROMETER FOR NEUTRON DIFFRACTION [J].