FAULTS: a program for refinement of structures with extended defects
Marine Reynaud
1
,
Jokin Rikarte
1
,
Pavel Horbach
2, 3
,
Juan Rodriguez-Carvajal
2
,
Juan Rodríguez-Carvajal
2
1
CIC Energigune, Parque Técnologico de Álava, Albert Einstein 48, Miñano, 01510, Spain
|
3
Institute for Metal Physics, National Academy of Science, 36 Vernadsky Boulevard, Kiev, 03680, Ukraine
|
Publication type: Journal Article
Publication date: 2016-11-02
scimago Q1
wos Q1
SJR: 1.183
CiteScore: 8.5
Impact factor: 2.8
ISSN: 00218898, 16005767
General Biochemistry, Genetics and Molecular Biology
Abstract
The FAULTS program is a powerful tool for the refinement of diffraction patterns of materials with planar defects. A new release of the FAULTS program is herein presented, together with a number of new capabilities, aimed at improving the refinement process and evolving towards a more user-friendly approach. These include the possibility to refine multiple sets of single-crystal profiles of diffuse streaks, the visualization of the model structures, the possibility to add the diffracted intensities from secondary phases as background and the new DIFFaX2FAULTS converter, among others. Three examples related to battery materials are shown to illustrate the capabilities of the program.
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104
Total citations:
104
Citations from 2024:
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(25%)
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GOST
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Casas-Cabanas M. et al. FAULTS: a program for refinement of structures with extended defects // Journal of Applied Crystallography. 2016. Vol. 49. No. 6. pp. 2259-2269.
GOST all authors (up to 50)
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Casas-Cabanas M., Reynaud M., Rikarte J., Horbach P., Rodriguez-Carvajal J., Rodríguez-Carvajal J. FAULTS: a program for refinement of structures with extended defects // Journal of Applied Crystallography. 2016. Vol. 49. No. 6. pp. 2259-2269.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1107/S1600576716014473
UR - https://doi.org/10.1107/S1600576716014473
TI - FAULTS: a program for refinement of structures with extended defects
T2 - Journal of Applied Crystallography
AU - Casas-Cabanas, Montse
AU - Reynaud, Marine
AU - Rikarte, Jokin
AU - Horbach, Pavel
AU - Rodriguez-Carvajal, Juan
AU - Rodríguez-Carvajal, Juan
PY - 2016
DA - 2016/11/02
PB - International Union of Crystallography (IUCr)
SP - 2259-2269
IS - 6
VL - 49
SN - 0021-8898
SN - 1600-5767
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2016_Casas-Cabanas,
author = {Montse Casas-Cabanas and Marine Reynaud and Jokin Rikarte and Pavel Horbach and Juan Rodriguez-Carvajal and Juan Rodríguez-Carvajal},
title = {FAULTS: a program for refinement of structures with extended defects},
journal = {Journal of Applied Crystallography},
year = {2016},
volume = {49},
publisher = {International Union of Crystallography (IUCr)},
month = {nov},
url = {https://doi.org/10.1107/S1600576716014473},
number = {6},
pages = {2259--2269},
doi = {10.1107/S1600576716014473}
}
Cite this
MLA
Copy
Casas-Cabanas, Montse, et al. “FAULTS: a program for refinement of structures with extended defects.” Journal of Applied Crystallography, vol. 49, no. 6, Nov. 2016, pp. 2259-2269. https://doi.org/10.1107/S1600576716014473.
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