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What is the composition of a given crystalline sample using X-ray diffraction analysis?

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To determine the composition of a given crystalline sample using X-ray diffraction  XRD  analysis, you need to follow these steps:1. Prepare the sample: Grind the crystalline sample into a fine powder to ensure that it has a random orientation of crystals. This will help to get a representative diffraction pattern.2. Perform XRD analysis: Place the powdered sample in an X-ray diffractometer, which will expose the sample to X-rays. The X-rays will interact with the crystal lattice, causing diffraction at specific angles depending on the crystal structure and atomic arrangement.3. Collect the diffraction pattern: The diffractometer will record the intensity of the diffracted X-rays as a function of the diffraction angle  2 . This will result in a characteristic pattern of peaks, which is unique to the crystal structure and composition of the sample.4. Analyze the diffraction pattern: Compare the obtained diffraction pattern with known patterns in a database, such as the International Centre for Diffraction Data  ICDD  Powder Diffraction File  PDF . This will help you identify the phases present in the sample and their relative proportions.5. Determine the composition: Based on the identified phases and their proportions, you can determine the composition of the crystalline sample. In some cases, additional techniques, such as Rietveld refinement, may be required to accurately determine the composition and crystal structure.Keep in mind that XRD analysis provides information about the crystal structure and phases present in the sample, but it may not provide direct information about the elemental composition. To obtain more detailed information about the elemental composition, you may need to use complementary techniques, such as energy-dispersive X-ray spectroscopy  EDX  or inductively coupled plasma mass spectrometry  ICP-MS .
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