SUPERFLIP–a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions

L Palatinus, G Chapuis - Journal of Applied Crystallography, 2007 - journals.iucr.org
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 …

Isotherms of individual pores by gas adsorption crystallography

HS Cho, J Yang, X Gong, YB Zhang, K Momma… - Nature …, 2019 - nature.com
Accurate measurements and assessments of gas adsorption isotherms are important to
characterize porous materials and develop their applications. Although these isotherms …

Structural Evolution of the BiFeO3−LaFeO3 System

DA Rusakov, AM Abakumov, K Yamaura… - Chemistry of …, 2011 - ACS Publications
The (1− x) BiFeO3− x LaFeO3 system has been investigated and characterized by room-
temperature and high-temperature laboratory and synchrotron powder X-ray diffraction …

[PDF][PDF] The maximum-entropy method in superspace

S Smaalen, L Palatinus, M Schneider - … Section A: Foundations of …, 2003 - journals.iucr.org
One of the applications of the maximum-entropy method (MEM) in crystallography is the
reconstruction of the electron density from phased structure factors. Here the application of …

A comparative study of the Aurivillius phase ferroelectrics CaBi4Ti4O15 and BaBi4Ti4O15

J Tellier, P Boullay, M Manier, D Mercurio - Journal of Solid State Chemistry, 2004 - Elsevier
The room temperature structures of the four-layer Aurivillius phase ferroelectrics
CaBi4Ti4O15 and BaBi4Ti4O15 are determined by means of single crystal X-ray diffraction …

Extended investigation of intermartensitic transitions in Ni-Mn-Ga magnetic shape memory alloys: A detailed phase diagram determination

A Çakιr, L Righi, F Albertini, M Acet, M Farle… - Journal of Applied …, 2013 - pubs.aip.org
Martensitic transitions in shape memory Ni-Mn-Ga Heusler alloys take place between a high
temperature austenite and a low temperature martensite phase. However, intermartensitic …

Structure refinement from precession electron diffraction data

L Palatinus, D Jacob, P Cuvillier… - … A: Foundations of …, 2013 - journals.iucr.org
Electron diffraction is a unique tool for analysing the crystal structures of very small crystals.
In particular, precession electron diffraction has been shown to be a useful method for ab …

Tetrahedral Chain Order in the Sr2Fe2O5 Brownmillerite

H D'Hondt, AM Abakumov, J Hadermann… - Chemistry of …, 2008 - ACS Publications
The crystal structure of the Sr2Fe2O5 brownmillerite has been investigated using electron
diffraction and high resolution electron microscopy. The Sr2Fe2O5 structure demonstrates …

Observation of a wurtzite form of gallium arsenide

MI McMahon, RJ Nelmes - Physical review letters, 2005 - APS
After a pressure decrease to ambient, the high-pressure SC16 phase of GaAs is found to
transform to the hexagonal wurtzite structure. This has been suggested for GaAs in …

Making the Most of 3D Electron Diffraction: Best Practices to Handle a New Tool

KN Truong, S Ito, JM Wojciechowski, CR Göb… - Symmetry, 2023 - mdpi.com
Along with the adoption of three-dimensional electron diffraction (3D ED/MicroED) as a
mainstream tool for structure determination from sub-micron single crystals, questions about …