International
Tables for
Crystallography
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, p. 380

Table 3.10.2 

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:  g_aranda@uma.es

Table 3.10.2| top | pdf |
Rietveld quantitative phase analyses for the crystalline inorganic mixtures measured with Cu Kα1 and Mo Kα1 radiations

Weighed amounts (wt%) are also shown for comparison. Absolute values of the Kullback–Liebler distance (AKLD) for each mixture and the KLD value for i-anhydrite are also included. Trm, transmission; rfl, reflection.

 CGpQ_0.0ACGpQ_0.25ACGpQ_0.50A
Phaseswt%Mo trmCu rflwt%Mo trmCu rflwt%Mo trmCu rfl
C 32.9 32.6 (1) 30.4 (2) 32.8 32.0 (1) 33.6 (1) 32.7 33.2 (1) 32.8 (1)
Gp 31.7 31.7 (1) 34.5 (1) 31.7 32.5 (1) 31.6 (1) 31.6 30.1 (1) 30.7 (1)
Q 34.2 34.6 (1) 33.7 (1) 34.1 33.9 (1) 33.0 (1) 34.0 34.6 (1) 34.2 (1)
s-A 0.8 0.66 (3) 0.76 (5) 0.8 0.77 (4) 0.78 (5) 0.8 0.97 (3) 1.15 (5)
SrSO4 0.4 0.44 (4) 0.70 (6) 0.4 0.44 (4) 0.67 (5) 0.4 0.39 (4) 0.56 (5)
i-A 0.28 0.42 (3) 0.42 (4) 0.52 0.71 (3) 0.71 (4)
                   
AKLD sum   0.0089 0.0605   0.0198 0.0235   0.0295 0.0180
(i-A) KLD         −0.001 −0.001   −0.002 −0.002

 CGpQ_1.0ACGpQ_2.0ACGpQ_4.0A
Phaseswt%Mo trmCu rflwt%Mo trmCu rflwt%Mo trmCu rfl
C 32.5 32.8 (1) 32.6 (2) 32.2 31.3 (1) 31.4 (1) 31.6 31.2 (1) 31.8 (1)
Gp 31.5 30.4 (1) 30.7 (1) 31.1 32.1 (1) 32.3 (1) 30.5 30.7 (1) 30.5 (1)
Q 33.8 34.1 (1) 33.8 (1) 33.5 33.5 (1) 32.6 (1) 32.8 32.8 (1) 32.0 (1)
s-A 0.8 1.03 (4) 1.11 (5) 0.7 0.54 (3) 0.58 (5) 0.7 0.67 (3) 0.77 (4)
SrSO4 0.4 0.43 (4) 0.68 (5) 0.4 0.48 (4) 0.68 (6) 0.4 0.45 (4) 0.63 (5)
i-A 1.02 1.23 (3) 1.17 (5) 2.02 2.05 (4) 2.38 (9) 4.02 4.30 (8) 4.33 (9)
                   
AKLD sum   0.0214 0.0152   0.0218 0.0358   0.0095 0.0156
(i-A) KLD   −0.002 −0.001   0.000 −0.003   −0.004 −0.003