If the single crystal X ray diffraction did not give the same results of powder X ray diffraction, how we use single crystal X ray diffraction to calculate the unit cell dimensions?
The procedure is pretty much same. But usually you will not get the very same results form single crystal and powder. For each sample, data might differ slightly. Of course, if the unit cell is not matching at all, change in the structure might have taken place. Also consider measurements at different temperatures, is diffraction pattern the same for different temperatures?
It cannot be described in a short answer, read the tutorials on X ray diffraction.
There is A SOFTWARE NAMED UNIT CELL CALCULATOR download it and install. upload the hkl and 2 theta data in text format and crystal type. let it calculate. You will get your answer within second.
Best of Luck.
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