 X-Ray Diffraction Facility
Single Crystal Structure Analysis
Working with good quality single crystal material having dimensions of 10 to 500 microns, a structural analysis will provide the bond lengths and angles in the crystalline solid as well as the packing of the material. It has been said that this technique is the "ultimate analytical tool" since exact atomic positional relationships can be determined to within 0.001 angstroms.
Identification of Materials
Many times a synthesis results only in fine grained powder material. It is common practice to take a standard powder diffraction pattern of the material and compare the pattern against our on-line database using computer-aided search/match routines. The facility also maintains updated versions of MDI Jade, which is well-established as a leading powder diffraction analysis software package.
Specialized Powder Diffraction
Several other techniques for powder material are also available. Low temperature powder diffraction is used for examining materials in the range of 20 to 250 Kelvin. High temperature powder diffraction is applied in the range of 300 to 1300 Kelvin. Pole figure analysis is used for determining preferred orientations in powders or powder-like materials, such as drawn or worked metals. Thin film analysis provides information on thin film deposits, usually on silicon wafers.
Crystal Orientation
If the orientation of a specimen of single crystal material is required, a back-reflection Laue camera is available. Together with in-house software, orientations to within 1 degree are attainable.
Database Search/Browse
Both the NIST Single Crystal Database and the ICDD Powder Diffraction Database are available. Powerful Boolean search algorithms provide fast results in both databases.
Recent Publications
Application of a modified Oszlanyi and Sueto ab initio charge-flipping algorithm to experimental data. Wu, J. S.; Spence, J. C. H.; O'Keeffe, M.; Groy, T. L., Acta Crystallographica, Section A: Foundations of Crystallography (2004), A60(4), 326-330.
Carbon-Sulfur Bond Cleavage in Bis(N-alkyldithiocarbamato)cadmium(II) Complexes: Heterolytic Desulfurization Coupled to Topochemical Proton Transfer. van Poppel, Laura H.; Groy, Thomas L.; Caudle, M. Tyler. Inorganic Chemistry (2004), 43(10), 3180-3188.
EPR and Magnetic Properties of Heteronuclear MnnMg6-n(O2CNEt2)12: Impact of Structural Distortions on Mn(II) in Weak Ligand Fields. Caudle, M. Tyler; Mobley, Charles. K.; Bafaro, Laura M.; LoBrutto, Russell; Yee, Gordon T.; Groy, Thomas L., Inorganic Chemistry (2004), 43(2), 506-514.
Synthesis and Characterization of Zirconogermanates. Plevert, Jacques; Sanchez-Smith, Rebeca; Gentz, Travis M.; Li, Hailian; Groy, Thomas L.; Yaghi, Omar M.; O'Keeffe, Michael. Department of Chemistry and Biochemistry, Arizona State University , Tempe , AZ , USA . Inorganic Chemistry (2003), 42(19), 5954-5959.
Crystal structure of protoanthophyllite: A new mineral from the takase ultramafic complex, Japan . Konishi, Hiromi; Groy, Thomas L.; Dodony, Istvan; Miyawaki, Ritsuro; Matsubara, Satoshi; Buseck, Peter R. Department of Geological Sciences, Arizona State University , Tempe , AZ , USA . American Mineralogist (2003), 88(11-12, Pt. 1), 1718-1723.
Layered Structures Constructed from New Linkages of Ge 7(O,OH,F) 19 Clusters. Plevert, Jacques; Gentz, Travis M.; Groy, Thomas L.; O'Keeffe, Michael; Yaghi, Omar M. Materials Design and Discovery Group, Department of Chemistry and Biochemistry, Arizona State University , Tempe , AZ , USA . Chemistry of Materials (2003), 15(3), 714-718.
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X-Ray Diffraction Facility Web site