Xiaoping Wang

Xiaoping Wang

Position: Instrument Scientist

Instrument: Single-Crystal Diffractometer

Group: Advanced Diffraction

Division: Chemical and Engineering Materials Division

Facility: Spallation Neutron Source

Contact: wangx@ornl.gov or (865) 200-2500

Dr. Xiaoping Wang received his Ph.D. degree in inorganic chemistry from Texas A&M University in 1998, where he did his graduate work with Professor F. Albert Cotton. He then undertook postdoctoral research in neutron crystallography at Argonne National Laboratory. He was the director for crystallographic computing in the Laboratory for Molecular Structure and Bonding at Texas A&M University from December 2001 to May 2006; the director of X-Ray Diffraction Laboratory at University of North Texas from June 2006 to July 2008, and has been appointed as adjunct professor in the chemistry department. Dr. Wang is currently an instrument scientist co-responsible for the TOPAZ single crystal diffractometer (SNS Beamline-12). He is co-author of more than 100 research paper published in peer-reviewed journals (H-Index 29).


Ph.D. degree in Inorganic Chemistry, Texas A&M, 1998


Dr. Wang’s primary research interest is applications of single crystal crystallography in chemistry and materials science. Research topics include guest-host interactions in metal-organic frameworks, ion transport in energy storage materials, hydrogen bonding, magnetism, and parametric study of structural phase transition of molecular compounds.

Selected Publications

  • Pramanick, A.; Wang, X. P.; An, K.; Stoica, A. D.; Yi, J.; Gai, Z.; Hoffmann, C.; and Wang, X.-L. Structural modulations and magnetic properties of off-stoichiometric Ni-Mn-Ga magnetic shape memory alloys Phys. Rev. B 2012, 85, 1444412.
  • Yang, C.; Kaipa, U.; Mather, Q. Z.; Wang, X. P.; Nesterov, V.; Venero, A. F.; Omary, M. A., Fluorous Metal-Organic Frameworks with Superior Adsorption and Hydrophobic Properties toward Oil Spill Cleanup and Hydrocarbon Storage. J. Am. Chem. Soc. 2011, 133, 18094-18097.
  • Zikovsky, J.; Peterson, P. F.; Wang, X. P.; Frost, M.; Hoffmann, C., CrystalPlan: an experiment-planning tool for crystallography. J. Appl. Cryst. 2011, 44, 418-423.
  • Jogl, G.; Wang, X. P.; Mason, S. A.; Kovalevsky, A.; Mustyakimov, M.; Fisher, Z.; Hoffman, C.; Kratky, C.; Langan, P., High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)alamin. Acta Cryst. D 2011, 67, 584-591.
  • Huang, S.-H.; Watson, W. H.; Carrano, C. J.; Wang, X. P.; Richmond, M. G., Directed Synthesis of the Triangular Mixed-Metal Cluster H2RhRe2CP*(CO)9: Ligand Fluxionality and Facile Cluster Fragmentation in the Presence of CO, Halogenated Solvents, and Thiols. Organometallics 2010, 29, 61-75.
  • Yang, C.; Wang, X. P.; Omary, M. A. Crystallographic observation of the dynamic gas adsorption sites and thermal expansion in a breathable fluorous metal-organic framework, Angew. Chem. Int. Ed. 2009, 48, 2500-2505.
  • Cotton, F. A.; Dalal, N. S.; Huang, P.; Ibragimov, S. A.; Murillo, C. A.; Piccoli, P. M. B.; Ramsey, C. M.; Schultz, A. J.; Wang, X. P.; Zhao, Q., Better understanding of the species with the shortest Re2(6+) bonds and related Re2(7+) species with tetraguanidinate paddlewheel structures. Inorg. Chem. 2007, 46, 1718-1726.
  • Wang, X. P.; Schultz, A. J.; Halpern, Y, Kinetics of methane hydrate formation from polycrystalline deuterated ice. J. Phys. Chem. A. 2002, 106, 7304-7309.
  • Ho, N. N.; Bau, R.; Plecnik, C.; Shore, S. G.; Wang, X. P.; Schultz, A. J. A neutron diffraction study of Cp2Ti{µ-H)2BC8H14}. J. Organomet. Chem. 2002, 654, 216-220.
  • Clerac, R.; Cotton, F. A.; Daniels, L. M.; Dunbar, K. R.; Kirschbaum, K.; Murillo, C. A.; Pinkerton, A. A.; Schultz, A. J.; Wang, X. P., Linear tricobalt compounds with di(2-pyridyl)amide (dpa) ligands: Temperature dependence of the structural and magnetic properties of symmetrical and unsymmetrical forms of Co3(dpa)4Cl2 in the solid state. J. Am. Chem. Soc. 2000, 122, 6226-6236.
  • Cotton, F. A.; Daniels, L. M.; Murillo, C. A.; Wang, X. P., From end-on coordination of acetonitrile molecules to crosswise bridging; formation of iminophosphino and acetamidate ligands in a dimolybdenum complex by further reactions with nucleophiles. Polyhedron 1998, 17, 2781-2793.