A method to obtain accurate and reproducible structural parameters from diffraction data

被引：1

作者：

Dudka, A. P. ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Crystallog, Moscow, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2012年 / 53卷

基金：

俄罗斯基础研究基金会;

关键词：

reproducibility of results; structural analysis; processing of diffraction data; refinement of the structure model; multipole model; method of interexperimental minimization; CCD-detector; diffractometer calibration; half-wavelength radiation; occupation of atomic positions; absorption of radiation; nonstoichiometric crystals; KTP; piezoelectric properties; langasite; MEASUREMENT PROJECT REPORT; CRYSTAL INTENSITY PROJECT; REDUCED DATA; X-RAY; CRYSTALLOGRAPHY COMMISSION; INTERNATIONAL UNION; NEUTRON-DIFFRACTION; REFINEMENT; MODEL; ABSORPTION;

D O I：

10.1134/S0022476612070025

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

We present new methods of structural analysis to obtain reproducible and accurate results. The approach is based on the comparison of measurements obtained in different experimental conditions. The methods are performed using ASTRA software including and refining various aspects of diffraction: features of diffractometers and radiation; form, size, domain structure, and elemental composition of samples; anomalous dispersion; thermal motion of atoms; and redistribution of valence electrons during chemical bonding of atoms, etc. To illustrate, we study structurally dependent piezoelectricelectric properties of langasite crystals.

引用

页码：S4 / S14

页数：11

共 50 条

[21] A new, rapid and reproducible method to obtain high quality endothelium in vitro
Jimenez, Nuria
Krouwer, Vincent J. D.
Post, Jan A.
CYTOTECHNOLOGY, 2013, 65 (01) : 1 - 14
[22] REFINEMENT OF ELECTRON DENSITY PARAMETERS FROM X-RAY DATA USING STRUCTURAL PARAMETERS OBTAINED BY NEUTRON DIFFRACTION
WILLOUGHBY, TV
COPPENS, P
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1969, A 25 : S83 - +
[23] A new, rapid and reproducible method to obtain high quality endothelium in vitro
Nuria Jiménez
Vincent J. D. Krouwer
Jan A. Post
Cytotechnology, 2013, 65 : 1 - 14
[24] A METHOD FOR OBTAINING ACCURATE AND REPRODUCIBLE RESULTS IN EXPERIMENTS ON PHAGOCYTOSIS
DAVIES, GE
JOURNAL OF PATHOLOGY AND BACTERIOLOGY, 1951, 63 (01): : 149 - 156
[25] ACCURATE KINETIC-PARAMETERS FROM THERMOGRAVIMETRIC DATA
SOMASEKHARAN, KN
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1988, 27 (02): : 110 - 114
[26] USE OF DSC TO OBTAIN ACCURATE THERMODYNAMIC AND KINETIC DATA
CASSEL, B
DIVITO, MP
AMERICAN LABORATORY, 1994, 26 (01) : 14 - &
[27] Presample Volume Necessary to Obtain Accurate Laboratory Parameters from Central Venous Catheters in Dogs
Buriko, Yekaterina
Murray, Megan
Hess, Rebecka
Silverstein, Deborah
JOURNAL OF THE AMERICAN ANIMAL HOSPITAL ASSOCIATION, 2022, 58 (01) : 1 - 6
[28] Accurate recording and measurement of electron diffraction data in structural and difference Fourier studies of proteins
Downing, KH
Li, HL
MICROSCOPY AND MICROANALYSIS, 2001, 7 (05) : 407 - 417
[29] Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions
Brazda, Petr
Klementova, Mariana
Krysiak, Yasar
Palatinus, Lukas
IUCRJ, 2022, 9 : 735 - 755
[30] ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .10. JOINT X-RAY AND NEUTRON DATA REFINEMENT OF STRUCTURAL AND CHARGE-DENSITY PARAMETERS
COPPENS, P
BOEHME, R
PRICE, PF
STEVENS, ED
ACTA CRYSTALLOGRAPHICA SECTION A, 1981, 37 (NOV): : 857 - 863

← 1 2 3 4 5 →