Accurate structure-factor measurements using high-energy synchrotron radiation:: a test on cuprite, Cu2O

被引：38

作者：

Lippmann, T ^{[1
]}

Schneider, LR ^{[1
]}

机构：

[1] DESY, HASYLAB, D-22603 Hamburg, Germany

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2000年 / 33卷

关键词：

D O I：

10.1107/S0021889899012790

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Using high-energy synchrotron radiation, structure factors were measured on the triple-axis diffractometer at the HASYLAB beamline BW5. A data set for cuprite, Cu2O, was recorded, and the excellent data quality [internal consistency R-int(F-2) = 0.0055] allowed full multipole refinements using the program VALRAY. Extinction was still significant, but small. Using data measured at 75, tao, 125 and 150 keV photon energies, it was possible to determine and separate extinction prior to the refinements. After evaluation and comparison of extinction-affected and extinction-free data, significant differences in the electron densities were found.

引用

页码：156 / 167

页数：12

共 32 条

[1]

[Anonymous], VALRAY USERS MANUAL

[2]

Bader R. F. W., 1994, ATOMS MOL QUANTUM TH

[3] EXTINCTION WITHIN LIMIT OF VALIDITY OF DARWIN TRANSFER EQUATIONS .1. GENERAL FORMALISMS FOR PRIMARY AND SECONDARY EXTINCTION AND THEIR APPLICATION TO SPHERICAL CRYSTALS [J].

BECKER, PJ ;

COPPENS, P .

ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (MAR) :129-147

[4] Lattice parameter and thermal expansion of monocrystalline silicon [J].

Bergamin, A ;

Cavagnero, G ;

Mana, G ;

Zosi, G .

JOURNAL OF APPLIED PHYSICS, 1997, 82 (11) :5396-5400

[5]

Boehm J. M., 1974, Acta Crystallographica, Section A (Crystal Physics, Diffraction, Theoretical and General Crystallography), VA30, P335, DOI 10.1107/S0567739474000787

[6] A triple-crystal diffractometer for high-energy synchrotron radiation at the HASYLAB high-field wiggler beamline BW5 [J].