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. 382

Table 3.10.3 

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 3.10.3| top | pdf |
RQPA for the crystalline organic mixtures measured with Cu Kα1 and Mo Kα1 radiations

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

 GFL_0.0XGFL_0.25XGFL_0.50X
Phaseswt%Mo trmCu rflwt%Mo trmCu rflwt%Mo trmCu rfl
G 33.4 33.8 (1) 33.5 (3) 33.3 33.6 (1) 33.1 (2) 33.2 32.3 (2) 33.5 (2)
F 33.5 31.7 (1) 32.7 (3) 33.4 32.3 (1) 34.3 (2) 33.3 32.1 (2) 33.4 (2)
L 33.1 34.5 (1) 33.7 (3) 33.0 33.7 (1) 32.0 (2) 33.0 35.0 (3) 32.5 (2)
X   0.27 0.33 (4) 0.57 (9) 0.55 0.53 (8) 0.61 (9)
                   
AKLD sum   0.0362 0.0150   0.0216 0.0231   0.0410 0.0096
(X) KLD     −0.001 −0.002   0.000 −0.001

 GFL_1.0XGFL_2.0XGFL_4.0X
Phaseswt%Mo trmCu rflwt%Mo trmCu rflwt%Mo trmCu rfl
G 33.0 34.7 (1) 33.6 (2) 32.7 32.2 (1) 31.5 (2) 32.0 32.8 (1) 33.6 (2)
F 33.1 32.6 (1) 33.7 (2) 32.8 31.7 (1) 34.4 (2) 32.2 30.7 (1) 32.5 (2)
L 32.8 31.6 (2) 31.4 (2) 32.5 34.3 (1) 32.0 (2) 31.8 32.9 (1) 30.5 (2)
X 1.1 1.10 (5) 1.3 (1) 2.0 1.76 (5) 2.1 (1) 3.9 3.70 (5) 3.4 (2)
                   
AKLD sum   0.0338 0.0280   0.0363 0.0339   0.0361 0.0372
(X) KLD   0.000 −0.002   0.003 −0.001   0.002 0.005