Structure solution Solution of the phase problem leads to the initial electron density map | This law relates the wavelength of electromagnetic radiation to the diffraction angle and the lattice spacing in a crystalline sample |
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Determination of crystal-chemical controls on mineral chemistry• Specific applications of single-crystal diffraction include:• The provides further information on the processes and steps involved in refining a crystal structure | Powder patterns can also be derived from single-crystals by use of specialized cameras Gandolfi Limitations Sample Selection and Preparation Samples for single-crystal diffraction should be selected from unfractured, optically clear crystals |
X-rays may also be produced using a synchotron, which emits a much stronger beam.
Indices hkl may be assigned to each reflection, indicating its position within the diffraction pattern | This new cell is also refined using least-squares to determine the final orientation matrix for the sample |
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-- Sean Parkin, University of Kentucky Teaching Activities and Resources Teaching activities, labs, and resources pertaining to Single-crystal X-ray Diffraction | Data Collection, Results and Presentation Data Collection Once the crystal is centered, a preliminary rotational image is often collected to screen the sample quality and to select parameters for later steps |
Literature The following literature can be used to further explore Single-crystal X-ray Diffraction•.
26Data Collection, Results and Presentation Data Collection Once the crystal is centered, a preliminary rotational image is often collected to screen the sample quality and to select parameters for later steps | When the geometry of the incident X-rays impinging the sample satisfies the Bragg Equation, constructive interference occurs |
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These X-rays are collimated and directed onto the sample | Spherical crystals can be created using a small, air-powered crystal tumbler, however easily cleaved minerals can break during this process |
Filtering, by foils or crystal monochrometers, is required to produce monochromatic X-rays needed for diffraction.
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