scispace - formally typeset
Topic

Neutron diffraction

About: Neutron diffraction is a(n) research topic. Over the lifetime, 26415 publication(s) have been published within this topic receiving 597194 citation(s). The topic is also known as: elastic neutron scattering.
Papers
More filters

Journal ArticleDOI
Abstract: In spite of intrinsic limitations, neutron powder diffraction is, and will still be in the future, the primary and most straightforward technique for magnetic structure determination. In this paper some recent improvements in the analysis of magnetic neutron powder diffraction data are discussed. After an introduction to the subject, the main formulas governing the analysis of the Bragg magnetic scattering are summarized and shortly discussed. Next, we discuss the method of profile fitting without a structural model to get precise integrated intensities and refine the propagation vector(s) of the magnetic structure. The simulated annealing approach for magnetic structure determination is briefly discussed and, finally, some features of the program FullProf concerning the magnetic structure refinement are presented and discussed. The different themes are illustrated with simple examples.

10,574 citations


Journal ArticleDOI
Abstract: The average lengths of bonds involving the elements H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, and l in organic compounds are reported.

6,328 citations


Journal ArticleDOI
TL;DR: SUPERFLIP is a computer program that can solve crystal structures from diffraction data using the recently developed charge-flipping algorithm and has been successfully compiled and tested on a variety of operating systems.
Abstract: SUPERFLIP is a computer program that can solve crystal structures from diffraction data using the recently developed charge-flipping algorithm. It can solve periodic structures, incommensurately modulated structures and quasicrystals from X-ray and neutron diffraction data. Structure solution from powder diffraction data is supported by combining the charge-flipping algorithm with a histogram-matching procedure. SUPERFLIP is written in Fortran90 and is distributed as a source code and as precompiled binaries. It has been successfully compiled and tested on a variety of operating systems.

3,221 citations



Journal ArticleDOI
Abstract: The x‐ray form factors for a bonded hydrogen in the hydrogen molecule have been calculated for a spherical approximation to the bonded atom. These factors may be better suited for the least‐squares refinement of x‐ray diffraction data from organic molecular crystals than those for the isolated hydrogen atom. It has been shown that within the spherical approximation for the bonded hydrogens in H2, a least‐squares refinement of the atomic positions will result in a bond length (Re value) short of neutron diffraction or spectroscopic values. The spherical atoms are optimally positioned 0.07 A off each proton into the bond. A nonspherical density for the bonded hydrogen atom in the hydrogen molecule has also been defined and the corresponding complex scattering factors have been calculated. The electronic density for the hydrogen molecule in these calculations was based on a modified form of the Kolos—Roothaan wavefunction for H2. Scattering calculations were made tractable by expansion of a plane wave in spheroidal wavefunctions.

2,394 citations


Network Information
Related Topics (5)
Tetragonal crystal system

26.8K papers, 533.6K citations

96% related
Single crystal

59.6K papers, 870.8K citations

95% related
Orthorhombic crystal system

26.4K papers, 471.9K citations

95% related
Crystal

90K papers, 1.2M citations

94% related
Paramagnetism

34.9K papers, 638.6K citations

94% related
Performance
Metrics
No. of papers in the topic in previous years
YearPapers
202215
2021353
2020432
2019460
2018455
2017508

Top Attributes

Show by:

Topic's top 5 most impactful authors

A. Szytuła

174 papers, 1.4K citations

Gilles André

141 papers, 1.8K citations

William B. Yelon

108 papers, 1.6K citations

Garry J. McIntyre

99 papers, 2K citations

Michael Hofmann

93 papers, 982 citations