RietveldToTensor: Program for Processing Powder X-Ray Diffraction Data under Variable Conditions

被引：72

作者：

Bubnova, R. S. ^{[1
]}

Firsova, V. A. ^{[1
]}

Volkov, S. N. ^{[1
]}

Filatov, S. K. ^{[2
]}

机构：

[1] Russian Acad Sci, Grebenshchikov Inst Silicate Chem, St Petersburg 199034, Russia

[2] St Petersburg State Univ, St Petersburg 199034, Russia

来源：

GLASS PHYSICS AND CHEMISTRY | 2018年 / 44卷 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

Rietveld method; high-temperature X-ray powder diffraction; crystallographic software; THERMAL-EXPANSION TENSOR; ALGORITHM;

D O I：

10.1134/S1087659618010054

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The RietveldToTensor program is designed to study crystal lattice deformations using the Rietveld method from the X-ray powder diffraction data gathered under varying physical and chemical conditions. Using the program, it is possible to determine the tensor of thermal expansion, compressibility, or chemical deformations of the material. The program runs on the Microsoft Windows 7 and higher platforms.

引用

页码：33 / 40

页数：8

共 23 条

[1] Algorithm for calculating the thermal expansion tensor and constructing the thermal expansion diagram for crystals [J].

Belousov, R. I. ;

Filatov, S. K. .

GLASS PHYSICS AND CHEMISTRY, 2007, 33 (03) :271-275

[2] Software for determining the thermal expansion tensor and the graphic representation of its characteristic surface (theta to tensor-TTT) [J].

Bubnova, R. S. ;

Firsova, V. A. ;

Filatov, S. K. .

GLASS PHYSICS AND CHEMISTRY, 2013, 39 (03) :347-350

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

CAGLIOTI, G ;

PAOLETTI, A ;

RICCI, FP .

NUCLEAR INSTRUMENTS & METHODS, 1958, 3 (04) :223-228

[4]

Coelho A.A., 2007, TOPAS-Academic Version 4.1

[5] CORRECTION OF INTENSITIES FOR PREFERRED ORIENTATION IN POWDER DIFFRACTOMETRY - APPLICATION OF THE MARCH MODEL [J].

DOLLASE, WA .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1986, 19 (pt 4) :267-272

[6]

Filatov S.K., 1990, Vysokotemperaturnaya Kristallokhimiya (High Temperature Crystal Chemistry)

[7] Crystal structures and thermal expansion of α-MgSO4 and β-MgSO4 from 4.2 to 300 K by neutron powder diffraction [J].

Fortes, A. D. ;

Wood, I. G. ;

Vocadlo, L. ;

Brand, H. E. A. ;

Knight, K. S. .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2007, 40 :761-770

[8] Parametric Rietveld refinement for the evaluation of powder diffraction patterns collected as a function of pressure [J].

Halasz, Ivan ;

Dinnebier, Robert E. ;

Angel, Ross .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2010, 43 :504-510

[9]

HINRICHSEN B, 2006, Z KRIST S, V23, P231

[10]

Hunter B., 1998, IUCR COMMIS POWDER D

← 1 2 3 →