全部 标题 作者
关键词 摘要

OALib Journal期刊
ISSN: 2333-9721
费用:99美元

查看量下载量

相关文章

更多...
地质论评  2003 

粉晶X射线衍射理论计算和CIF数据转换软件―XRAY

Keywords: X射线衍射CIF文件计算机程序矿物粉晶空间群晶胞参数

Full-Text   Cite this paper   Add to My Lib

Abstract:

本文简要介绍一个进行粉晶X射线理论计算和CIF文件转换的计算机软件-XRAY,其输入内容仅要求X射线波长,晶胞参数,空间群和原子坐标等,输出内容包括衍射图谱的图形方式和一个包含2θ、d值、相对强度和指标化的列表,并可进行CIF文件的输出转换,它可作为科学研究的辅助工具以及用于X射线结晶学的数学演示。

References

[1]  Boisen M B Jr, Gibbs G V. 1990. Mathematical crystallography. Reviews in Mineralogy, 15: 406.
[2]  Borg D L, Smith D K. 1969. Calculated X ray powder patterns for silicate minerals. Geological Society of America Memoir 122, Boulder, Colorado.
[3]  Down R T, Bartelmehs K L, Gibbs G V, et al. 1993. Interactive software for calculating and displaying X-ray or neutron powder diffractometer patterns of crystalline materials. Am. Mineral. ,78: 1104~1107.
[4]  Hall S R, Allen F H, Brown I D. 1991. The Crystallographic Infor mation File (CIF) a new standard archive file for crystallography.Acta Cryst. , A47: 655~685.
[5]  Lonsdale K. 1985. International Tables for X-ray Crystallography,Vol. 2. Reidel, Boston, Massachusetts.
[6]  Smith D K, Nichols M C, Zolensky M E. 1983. POWD 10, a FOR-TRAN Ⅳ program for calculating X-ray powder diffraction patterns. Pennsylvania State University, Pennsylvania.
[7]  Smrock L, Weiss Z. 1993. DIFK 91: A program for the modelling of powder diffraction patterns on a PC. J. Applied Crystal. , 26:140~141.
[8]  Yvon K, Jeitschko W, Parthe E. 1977. LAZYPULVERIX: A computer program for calculating X-ray and Neutron diffraction powder Patterns. J. Applied Crystal. , 10: 73~74.

Full-Text

Contact Us

service@oalib.com

QQ:3279437679

WhatsApp +8615387084133