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ZENODO
Article . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Article . 2025
License: CC BY
Data sources: Datacite
ZENODO
Article . 2025
License: CC BY
Data sources: Datacite
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Crystal Lattice: An alternative software for calculating lattice parameters from X-ray diffraction data

Authors: Reyes Valdez, Juan Jesús; Benito Santiago, Sandra Edith; Espíndola Flores, Ana Cecilia;

Crystal Lattice: An alternative software for calculating lattice parameters from X-ray diffraction data

Abstract

In materials synthesis research, understanding the lattice parameters is crucial for determining the phase and evolution of a material's microstructure. Crystal Lattice is user-friendly, free software designed to calculate the lattice parameters of the seven crystalline systems using one or more X-ray diffraction (XRD) planes. Developed in an accessible programming environment like Visual Studio, this program employs analytical methods to calculate the lattice parameters. To use the software, users need to input the diffraction angle (2θ) and the Miller indices (hkl); with this information, the program determines the lattice parameters. Additionally, Crystal Lattice can calculate the crystallite size based on the diffraction angle (2θ) and the full width at half maximum (FWHM). The software validation used information from the ICSD (Inorganic Crystal Structure Database) crystallographic card of different chemical compounds. The data was processed using the equation corresponding to each crystal structure. The results were compared with the information provided in the ICSD crystallographic card data, obtaining a mean error of 0.059%.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green