Quanto
Quantitative determination of phase abundance in a multicomponent polycrystalline mixture is a basic goal in materials characterization. Because of several advantages compared with traditional techniques, the Rietveld method has been increasingly applied to this task. Further progress in this direction would be to carry out the analysis automatically.
The new Rietveld package Quanto is devoted to the automatic estimation of the weight fraction of each crystalline phase in a mixture. The amorphous content can be estimated by means of the internal-standard method. Corrections for preferred orientation and micro-absorption effects are available. A user-friendly graphical interface facilitates interaction. A data bank including several organic and inorganic phases is supplied with the program.
RESEARCH AREA
KEYWORDS
Altomare A., Burla M.C., Giacovazzo C., Guagliardi A., Moliterni A. and Rizzi R.
Quanto: a Rietveld program for quantitative phase analysis of polycrystalline mixtures
J. Appl. Crystallog. (2001). 34, 392-397; doi:10.1107/S0021889801002904
Quanto was applied and cited in:
Grisorio R., Conelli D., Fanizza E. et al. “Size-tunable and stable cesium lead-bromide perovskite nanocubes with near-unity photoluminescence quantum yield”, (2021) Nanoscale Adv., 3, 3918-3928. doi: 10.1039/d1na00142f
Romero M., Gómez R.W., Marquina V. et al. “Synthesis by molten salt method of the AFeO3 system (A=La, Gd) and its structural, vibrational and internal hyperfine magnetic field characterization” (2014) Phys. B: Condens. Matter, 443, 90 – 94. doi: 10.1016/j.physb.2014.03.024
Xie Y., Carbone L., Nobile, C., et al. “Metallic-like stoichiometric copper sulfide nanocrystals: Phase- and shape-selective synthesis, near-infrared surface plasmon resonance properties, and their modeling” (2013) ACS Nano, 7, 7352 – 7369. doi: 10.1021/nn403035s
Chiarello G.L., Aguirre M.H., Selli E. “Hydrogen production by photocatalytic steam reforming of methanol on noble metal-modified TiO2” (2010) J. Catal., 273, 182-190. doi: 10.1016/j.jcat.2010.05.012
Del Nero G., Cappelletti G., Ardizzone S. et al. “Yellow Pr-zircon pigments: The role of praseodymium and of the mineralizer” (2004) J. Eur. Ceram. Soc., 24, 3603–3611. doi: 10.1016/j.jeurceramsoc.2004.01.003
