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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
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

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X-rays may also be produced using a synchotron, which emits a much stronger beam.

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X-rays are generated in a cathode ray tube by heating a filament to produce electrons, accelerating the electrons toward a target by applying a voltage, and impact of the electrons with the target material
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Crystals can be broken off a larger sample and the best fragment selected
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Indices hkl may be assigned to each reflection, indicating its position within the diffraction pattern
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
-- 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

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Literature The following literature can be used to further explore Single-crystal X-ray Diffraction•.

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Adjustment of the X, Y and Z orthogonal directions allows centering of the crystal within the X-ray beam
Single
Generally this is done by collecting a sphere or hemisphere of data using an incremental scan method, collecting frames in 0
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A beam stop is located directly opposite the collimator to block transmitted rays and prevent burn-out of the detector
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 When the geometry of the incident X-rays impinging the sample satisfies the Bragg Equation, constructive interference occurs
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

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Filtering, by foils or crystal monochrometers, is required to produce monochromatic X-rays needed for diffraction.

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Variations in crystal lattice with chemistry• Elements can be assigned to intensity centers, with heavier elements associated with higher intensities
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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
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When electrons have sufficient energy to dislodge inner shell electrons of the target material, characteristic X-ray spectra are produced