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=Indexing Exercises=
====================

Indexing powder diffraction patterns
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Purpose:
Training in the use of the programs TREOR90 and DICVOL04 from WinPLOTR. Automatic
generation of a PCR file for FullProf using the Le Bail method. Use of the program
CheckGroup for determining the possible space groups after running FullProf for
extracting integrated intensities.

Files                            Wavelength                        INS
----------------------------------------------------------------------
pbsox.dat                   1.540560 1.544400  0.5000                0
pph3.dat                        1.001000                            10
4mpno_110k.dat                  0.689640                            10
4mpno_25.dat                    0.689640                            10


The file pbsox.dat corresponds to laboratory x-ray data of PbSO4 and the two other
files (4mpno_110k.dat and 4mpno_25.dat) corresponds to two different phases of the
compound: 4-methyl-pyridine-N-oxy, also called gamma-picoline. The exercise consists
of determining the unit cell of all phases and the proposal of the most probable
space groups.

As a guide for performing the exercises the cell parameters and space groups
expected to be found are:
pbsox.dat (a=8.485, b=5.402, c=6.964, Pnma)
pph3.dat (a=8.493, b=15.027, c=11.431 beta=92.88, P21/c)
4mpno_110k.dat (a=12.056, b=10.313, c=19.571, Fddd)
4mpno_25.dat (a=15.433, c=19.664, P41--)

