Tables for
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 3.10, pp. 375-376

Section 3.10.2. Compounds and series

L. León-Reina,a A. Cuesta,b M. García-Maté,c,d G. Álvarez-Pinazo,c,d I. Santacruz,c O. Vallcorba,b A. G. De la Torrec and M. A. G. Arandab,c*

aServicios Centrales de Apoyo a la Investigación, Universidad de Málaga, 29071 Málaga, Spain,bALBA Synchrotron, Carrer de la Llum 2–26, Cerdanyola, 08290 Barcelona, Spain,cDepartamento de Química Inorgánica, Cristalografía y Mineralogía, Universidad de Málaga, 29071 Málaga, Spain, and dX-Ray Data Services S.L., Edificio de institutos universitarios, c/ Severo Ochoa 4, Parque tecnológico de Andalucía, 29590 Málaga, Spain
Correspondence e-mail:

3.10.2. Compounds and series

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Table 3.10.1[link] provides information about the phases used in this work. Further details can be found in the original publication (León-Reina et al., 2016[link]). All of the mixtures were prepared by grinding the weighed phases by hand in an agate pestle and mortar for 20 min to ensure homogeneity.

Table 3.10.1| top | pdf |
Cambridge Structural Database (CSD)/Inorganic Crystal Structure Database (ICSD) reference codes for all phases used for Rietveld refinements in this work and the linear absorption coefficients for the wavelengths used

PhaseChemical formulaCSD/ICSD refcodeμ (cm−1), Cu Kα1, λ = 1.5406 Åμ (cm−1), Mo Kα1, λ = 0.7093 Åμ (cm−1), λ = 0.7744/0.4959 ÅReference
Glucose C6H12O6 Glucsa10 12 1 1.3/— Brown & Levy (1979[link])
Fructose C6H12O6 Fructo11 12 1 1.3/— Kanters et al. (1977[link])
α-Lactose monohydrate C12H22O11·H2O Lactos10 12 1 1.3/— Fries et al. (1971[link])
Xylose C5H10O5 Xylose 12 1 1.2/— Hordvik (1971[link])
Gypsum CaSO4·(H2O)2 151692 141 16 22/— De la Torre et al. (2004[link])
Quartz SiO2 41414 92 10 11/2.9 Will et al. (1988[link])
s-Anhydrite CaSO4 16382 219 24 31/— Kirfel & Will (1980[link])
i-Anhydrite CaSO4 79527 219 24 31/— Bezou et al. (1995[link])
Zincite ZnO 65120 285 244 —/89.1 Albertsson et al. (1989[link])
Calcite CaCO3 80869 194 22 27/7.3 Maslen et al. (1995[link])
SrSO4 SrSO4 22322 299 187 40/— Garske & Peacor (1965[link]) Crystalline inorganic series

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A constant matrix of calcite (C), gypsum (Gp) and quartz (Q) was prepared. Six samples with known increasing amounts of insoluble anhydrite (i-A) were then produced and were labelled CGpQ_xA, where x repesents the target i-A content: 0.00, 0.125, 0.25, 0.50, 1.0, 2.0 or 4.0 wt%. Crystalline organic series

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A constant matrix of glucose (G), fructose (F) and lactose (L) was prepared. Six samples with known increasing amounts of xylose (X) were then produced and labelled GFL_xX, where x represents the target X content: 0.00, 0.125, 0.25, 0.50, 1.0, 2.0 or 4.0 wt%. Variable amorphous content series

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A constant matrix of calcite (C) and zincite (Z) was prepared. Five samples with increasing contents of amorphous ground glass (Gl) were then prepared. The elemental composition of the ground glass is given in García-Maté et al. (2014)[link]. The mixtures were labelled CZQ_xGl, where x indicates 0, 2, 4, 8, 16 or 32 wt% Gl. The amorphous content was determined by adding ∼20 wt% quartz (Q) as an internal standard.


García-Maté, M., Santacruz, I., Cuesta, A., León-Reina, L., Aranda, M. A. G., Baco, I., Morin, V., Walenta, G., Gartner, E. & De la Torre, A. G. (2014). Amorphous content determination in calcium sulfoaluminate related materials by external and internal standard methodologies. Adv. Cem. Res. 27, 417–423.Google Scholar
León-Reina, L., García-Maté, M., Álvarez-Pinazo, G., Santacruz, I., Vallcorba, O., De la Torre, A. G. & Aranda, M. A. G. (2016). Accuracy in Rietveld quantitative phase analysis: a comparative study of strictly monochromatic Mo and Cu radiations. J. Appl. Cryst. 49, 722–735.Google Scholar

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