NDLI: New-corrected functions of X-ray powder diffraction

Content Provider	Springer Nature Link
Author	Zhang, QingLi Liu, WenPeng Ding, LiHua Jiang, HaiHe Yin, ShaoTang
Copyright Year	2009
Abstract	X-ray powder diffraction is an indispensable technique to study material structure, phase transition and so on. It is necessary for high quality diffraction data to get high-precision diffraction angle. This work proposed four corrected functions of X-ray powder diffraction angle. Two methods, linearization method and modified Levenberg-Marquardt iteration method, are given to solve the function parameters, and the modified Levenberg-Marquardt method has fast convergent speed and stable solution. Two methods can give closed parameters, including those of Lu, Liu, and Chu functions and polynomial. New-corrected functions were used to fit the diffraction angle error of the tetragonal rutile polycrystalline TiO$_{2}$ mixed with Gd$_{0.45}$Y$_{2.55}$Sc$_{2}$Ga$_{3}$O$_{12}$ as a standard sample, and the computation result indicates that these functions can characterize the diffraction error very well. In some cases, the new-corrected functions can describe the diffraction angle error better than the reported corrected functions. At the same time, the lattice parameter of Gd$_{0.45}$Y$_{2.55}$Sc$_{2}$Ga$_{3}$O$_{12}$ was computed with two methods. When the corrected function parameters and lattice parameters were solved by the least square method, the interaction of the function parameters and lattice parameters would result in great error. However, when the X-ray diffraction angles were corrected by corrected functions using a standard sample, the authentic lattice parameters can be obtained by the least square fitting.
Starting Page	3940
Ending Page	3946
Page Count	7
File Format	PDF
ISSN	10016538
Journal	Chinese Science Bulletin
Volume Number	54
Issue Number	21
e-ISSN	18619541
Language	English
Publisher	SP Science in China Press
Publisher Date	2009-11-25
Publisher Place	Heidelberg
Access Restriction	Subscribed
Subject Keyword	X-ray powder diffraction corrected function extrapolate function lattice parameter Engineering Earth Sciences Chemistry/Food Science Physics Life Sciences Science
Content Type	Text
Resource Type	Article
Subject	Multidisciplinary

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Comparative crystal structure determination of griseofulvin: Powder X-ray diffraction versus single-crystal X-ray diffraction

Comparison of the accuracy of powder and single-crystal X-ray diffraction techniques in determining organic crystal structure

Content analyses in GaMnAs by double-crystal X-ray diffraction

Crystal structure determining of 7-ADCA based on X-ray powder diffraction

Structure of aqueous sodium sulfate solutions derived from X-ray diffraction

Application of chemical fractionation and X-ray powder diffraction to study phosphorus speciation in sediments from Lake Hongfeng, China

Crystal structure determination of three polycyclic compounds and comparative Rietveld refinement between MS and GSAS programs

Crystal structure determination of Jatrorrhizine chloride

Hard X-ray diffraction enhanced imaging only using two crystals

New-corrected functions of X-ray powder diffraction

Similar Documents

Comparative crystal structure determination of griseofulvin: Powder X-ray diffraction versus single-crystal X-ray diffraction

Comparison of the accuracy of powder and single-crystal X-ray diffraction techniques in determining organic crystal structure

Content analyses in GaMnAs by double-crystal X-ray diffraction

Crystal structure determining of 7-ADCA based on X-ray powder diffraction

Structure of aqueous sodium sulfate solutions derived from X-ray diffraction

Application of chemical fractionation and X-ray powder diffraction to study phosphorus speciation in sediments from Lake Hongfeng, China

Crystal structure determination of three polycyclic compounds and comparative Rietveld refinement between MS and GSAS programs

Crystal structure determination of Jatrorrhizine chloride

Hard X-ray diffraction enhanced imaging only using two crystals

New-corrected functions of X-ray powder diffraction