Abstract
X-ray resonant diffraction can be applied in structural chemistry studies on powder samples. It enables an important limitation of powder diffraction to be overcome. This limitation is related to the low ability of powder diffraction to differentiate elements with close atomic numbers when they occupy the same or close crystallographic sites (mixed occupancy case) and also to discriminate cations with different valence states in different sites. However the resonant effect usually has a second order influence on the measured intensity. As a consequence, the efficiency of this method directly implies the need for excellent quality data collection and has generally been better assessed on elements present in single phase powder samples. In recent years, instrumental developments have been made in synchrotron radiation facilities which allow easier use of resonant powder diffraction for site-specific contrast and valence i.e. oxidation state analyses. Moreover, resonant contrast diffraction tools also have been proposed for better visualization of the anomalous effect both in direct and reciprocal space by using differences between electron density maps or diffraction patterns. Finally the potentialities of this technique for de novo structure solution on macromolecular systems are mentioned.
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D. Coster, K.S. Knol, J.A. Prins, Z. Phys. 63, 345 (1930)
H. Mark, L.Z. Szilaid, Z. Phys. 33, 688 (1925)
A.J. Bradley, J.W. Rodgers, Proc. Roy. Soc. A 144, 340 (1934)
F.W. Jones, C. Sykes, Proc. Roy. Soc. A 161, 440 (1937)
J.M. Bijvoet, Proc. Acad. Sci. Amsterdam B 52, 313 (1949)
R. Fourme, W. Shepard, M. Schiltz, M. Ramin, R. Kahn in HERCULES, vol. IV, edited by E. Fanchon, E. Geissler, J.-L. Hodeau, J-R. Regnard, P. Timmins (Oxford Univ. Press, Oxford, 2000), p. 36.
W.A. Hendrickson, Science 254, 51 (1991)
J.R. Helliwell, in Macromolecular Crystallography with Synchrotron Radiation (Cambridge University Press, London, 1992)
G. Materlink, C.J. Sparks, K. Fischer, Resonant Anomalous X-ray Scattering (Elsevier Science B.V., Amsterdam, 1994)
G.E. Ice, C.J. Sparks, in Resonant Anomalous X-ray Scattering, edited by G. Materlink, C.J. Sparks, K. Fischer (Elsevier Science B.V., Amsterdam, 1994), p. 265
E. Matsubara, Y. Waseda, in Resonant Anomalous X-ray Scattering, edited by G. Materlink, C.J. Sparks, K. Fischer (Elsevier Science B.V., Amsterdam, 1994), p. 345
D. Raoux, in Resonant Anomalous X-ray Scattering, edited by G. Materlink, C.J. Sparks, K. Fischer (Elsevier Science B.V., Amsterdam, 1994), p. 323
R.S. Howland, T.H. Geballe, S.S. Laderman, A. Fisher-Colbrie, M. Scott, J.M. Tarascon, P. Barboux, Phys Rev. B 39, 9017 (1989)
A.P. Wilkinson, A.K. Cheetham, S.C. Tang, W.J. Reppart, J. Chem. Soc. Chem. Commun. 1485 (1992)
D.E. Cox, A.P. Wilkinson, in Resonant Anomalous X-ray Scattering, edited by G. Materlink, C.J. Sparks, K. Fischer (Elsevier Science B.V., Amsterdam, 1994), p. 195
J.L. Hodeau, V. Favre-Nicolin, S. Bos, H. Renevier, E. Lorenzo, J.F. Berar, Chem. Rev. 101, 1843 (2001)
M. Cianci, J. R. Helliwell, M. Helliwell, V. Kaucic, N.Z. Logar, G. Mali, N.N. Tusar, Crystallogr. Rev. 11, 245 (2005)
Y. Waseda, in Anomalous X-ray Scattering for Materials Characterisation: Atomic-Scale Structure Determination, Springer Tracts in Modern Physics (Springer Verlag, Berlin 2002), p. 179
J.P. Attfield, Mater. Sci. Forum 228-231, 201 (1996)
D.H. Templeton, L.K. Templeton, Acta Crystallogr. A 36, 436 (1980)
V.E. Dmitrienko, Acta Crystallogr. A 39, 29 (1983)
A. Kirfel, in Resonant Anomalous X-ray Scattering, edited by G. Materlink, C.J. Sparks, K. Fischer (Elsevier Science B.V., Amsterdam, 1994), p. 231
H. Palancher, Ph.D. thesis, Université Joseph Fourier, Grenoble, France, 2004
T. Lippmann, A. Kirfel, HASYLAB/DESY Report (1991)
W. Morgenroth, A. Kirfel, Z. Kristallogr. 185, 205 (1991)
T. Toda, T. Nogami, K. Yamasaki, Y. Soejima, J. Appl. Crystallogr. 31, 423 (1998)
J. Garcia, G. Subias, M.G. Proietti, H. Renevier, Y. Joly, J.L. Hodeau, J. Blasco, M.C. Sanchez, J.F. Berar, Phys. Rev. Lett. 85, 578 (2000)
Y. Joly, J.E. Lorenzo, E. Nazarenko, J.L. Hodeau, D. Mannix, C. Marin, Phys Rev. B 78, 134110 (2008)
G.H. Kwei, R.B. Von Dreele, A. Williams, J.A. Goldstone, A.C. LawsonII, W.K Warburton, J. Mol. structure 223, 383 (1990)
J.P. Attfield, Nature 343, 46 (1991)
A.P. Wilkinson, A.K. Cheetham, D.E. Cox, Acta Crystallogr. B 47, 155 (1991)
G. Artioli, A. Pavese, M. Bellotto, S.P. Collins, G. Lucchetti, Am. Mineral. 81, 603 (1996)
R.J. Goff, J.P. Wright, J.P. Attfield, P.G. Radaelli, J. Phys.: Condens. Matter. 17, 7633 (2005)
J. Lorimier, F. Bernard, J.-C. Niepce, N. Guigue-Millot, O. Isnard, J.-F. Bérar, J. Appl. Crystallogr. 36, 301 (2003)
J.P. Attfield, J. Phys. Chem. Solids 52, 1243 (1991)
I.J. Pickering, M. Samsone, J. Marsch, G.N. George, J. Am. Chem. Soc. 115, 6302 (1993)
I.J. Pickering, M. Sansone, J. Marsch, G N. George, Jpn. J. Appl. Phys., Suppl. 32, 206 (1993)
J. Vacinova, J.L. Hodeau, P. Bordet, M. Anne, D. Cox, A. Fitch, P. Pattison, W. Schweggle, H. Graafsma, A. Kvick, Mater. Sci. Forum 228, 95 (1996)
S. Bos, Ph.D. thesis, Université Joseph Fourier, Grenoble, France, 1999
C. Gueho, D. Giaquinta, J.L. Mansot, T. Ebel, P. Palvadeau, Chem. Mater. 7, 486 (1995)
H. Renevier, S. Grenier, S. Arnaud, J.F. Bérar, B. Caillot, J.L. Hodeau, A. Letoublon, M.G. Proietti, B. Ravel J. Synchrotron Rad. 10, 435 (2003)
T. Wessels, Ph.D. thesis, ETH Zurich, Switzerland, 1999
L.B. Sorensen, J.O. Cross, M.N. Newville, B. Ravel, J.J. Rehr, H. Stragier, C.E. Bouldin, J.C. Woicik, in Resonant Anomalous X-ray Scattering, edited by G. Materlink, C.J. Sparks, K. Fischer (Elsevier Science B.V., Amsterdam, 1994), p. 389
C. Meneghini, F. Boscherini, L. Pasquini, H. Renevier, J. Appl. Crystallogr. 42, 642 (2009)
J.O. Cross, M. Newville, L.B. Sorensen, H.J. Stragier, C.E. Bouldin, J.C. Woicik, J. Phys. IV (France) 7, 745 (1997)
J.O. Cross., M. Newville, J.J. Rehr, L.B. Sorensen, C.E. Bouldin, G. Watson, T. Gouder, G.H. Lander, M.I. Bell, Phys. Rev. B 58, 11215 (1998)
H. Renevier, J.L. Hodeau, P. Wolfers, S. Andrieu, J. Weigelt, R. Frahm Phys. Rev. Lett. 78, 2775 (1997)
D.A. Perkins, J.-P. Attfield, J. Chem. Soc., Chem. Comm. 4, 229 (1991)
R.J. Nelmes, P.D. Hatton, M.I. McMahon, R.O. Piltz, J. Grain, R.J. Cernik, G. Bushnellwye, Rev. Sci. Instrum. 63, 1039 (1992)
Y. Zhang, A.P. Wilkinson, P.L. Lee, S.D. Shastri, D. Shu, D.-Y. Chung, M.G. Kanatzidis, J. Appl. Crystallogr. 38, 433 (2005)
J.-M. Joubert, R. Cerny, M. Latroche, A. Percheron-Guégan, K. Yvon, J. Appl. Crystallogr. 31, 327 (1998)
F. Bernard, J. Lorimier, V. Nivoix, N. Millot, P. Perriat, B. Gillot, J.F. Berar, J.C. Niepce, J. Solid State Chem. 141, 105 (1998)
C. Lamberti, M. Milaneso, C. Prestino, S. Bordiga, A.N. Fitch, G.L. Marra, ESRF Newsletter 35 (2001)
A.P. Wilkinson, A.K. Cheetham, S.C. Tang, W.J. Reppart, J. Chem. Soc. Chem. Commun. 1485 (1992)
H. Palancher, C. Pichon, J.L. Hodeau, J.-F. Berar, J. Lynch, B. Rebours, J. Rodriguez-Carvajal, Zeit. Kristallogr. Suppl. 23, 487 (2006)
G.H. Kwei, R.B. Von Dreele, S.W. Cheong, Z. Fisk, J.D. Thompson, Phys. Rev. B 41, 1889 (1990)
M.D. Marcos, M.A.G. Aranda, D.C. Sinclair, J.P. Attfield, Physica C 235, 967 (1994)
M.A.G. Aranda, D.C. Sinclair, J.P. Attfield, A.P. McKenzie, Phys. Rev. B 51, 12747 (1995)
M. Latroche, J.M. Joubert, A. Percheron-Guegan, P.H.L. Notten, J. Solid State Chem. 146, 313 (1999)
Y. Zhang, A.P. Wilkinson, G.S. Nolas, P.L. Lee, J.P. Hodges, J. Appl. Crystallogr. 36, 1182 (2003)
A.K. Cheetham, A.P. Wilkinson, Angew. Chem. Int. Ed. 31, 1557 (1992)
C. Pichon, H. Palancher, J.L. Hodeau, J.F. Bérar, Oil Gas Sci. Technol. 60, 831 (2005)
J.K. Warner, A.P. Wilkinson, A.K. Cheetham, D.E. Cox, J. Phys. Chem. Solids 52, 1251 (1991)
S. Basolo, J.-F. Berar, N. Boudet, P. Breugnon, B. Caillot, J.C. Clemens, P. Delpierre, B. Dinkespiler, S. Hustache, I. Koudobine, C. Meessen, M. Menouni, C. Mouget, H. Palancher, P. Pangaud, R. Potheau, E. Vigeolas, J. Synchrotron Rad. 14, 151 (2007)
H. Ehrenberg, M. Knapp, T. Hartmann, H. Fuess, T. Wroblewski, J. Appl. Crystallogr. 33, 953 (2000)
M. Helliwell, J.R. Helliwell, V. Kaucic, N. Zabukovec Logar, L. Barba, E. Busetto, A. Lausi, Acta Crystallogr. B 55, 327 (1999)
H. Palancher, J.-L. Hodeau, C. Pichon, J.-F. Bérar, J. Lynch, B. Rebours, J. Rodriguez-Carvajal, Angew. Chem. Int. Ed. 44, 1725 (2005)
J. Rodriguez-Carvajal, Physica B 192, 55 (1993)
A.C. Larson, R.B. Von Dreele GSAS, Report No. LAUR 86-748, Los Alamos National Laboratory (New Mexico, USA, 1987)
J.-F. Bérar, G. Baldinozzi, IUCr-CPD Newslett. 20, 3 (1998)
V. Petricek, M. Dusek, L. Palatinus, JANA2006 Institute of Physics, Praha, Czech Republic (2006)
M. Helliwell, J.R. Helliwell, V. Kaucic, N. Zabukovec Logar, S.J. Teat, J.E. Warren, E.J. Dodson, Acta Crystallogr. B 66, 345 (2010)
R. Wulf, Acta Crystallogr. A 46, 681 (1990)
K. Sugiyama, Y. Waseda, Materials Transactions, JIM 30, 235 (1989)
H. Palancher, C. Pichon, B. Rebours, J.-L. Hodeau, J. Lynch, J.-F. Bérar, S. Prévot, G. Conan, C. Bouchard, J. Appl. Crystallogr. 38, 370 (2005)
C.M. Mitchell, Acta Crystallogr. 10, 475 (1957)
Y. Okaya, R. Pepinsky, Phys. Rev. 103, 1645 (1956)
I.G. Wood, L. Nicholls, G. Brown, J. Appl. Crystallogr. 19, 364 (1986)
W. Prandl, Acta Crystallogr. A 46, 988 (1990)
K. Burger, D. Cox, R. Papoular, W. Prandl, J. Appl. Crystallogr. 31, 789 (1998)
J.R. Helliwell, M. Helliwell, R.H. Jones, Acta Crystallogr. A 61, 568 (2005)
J.P. Wright, C. Besnard, I. Margiolaki, S. Basso, F. Camus, A.N. Fitch, G.C. Fox, P. Pattison, M. Schiltz, J. Appl. Crystallogr. 41, 329 (2008)
I. Margiolaki, J.P. Wright, Acta Crystallogr. A 64, 169 (2008)
J.R. Helliwell, A.M.T. Bell, P. Bryant, S. Fisher, J. Habash, M. Helliwell, I. Margiolaki, K. Surasak, Y. Watier, J. Wright, S. Yalamanchilli, Z. Kristallogr. 225, 570 (2010)
B. Hedman, K.O. Hodgson, J.R. Helliwell, R. Liddington, M.Z. Papiz, P.N.A.S. USA 82, 7604 (1985)
K.S. Paithankar, H.O. Sørensen, J.P. Wright, S. Schmidt, H.F. Poulsen, E.F. Garman, Acta Crystallogr. D 67, 608 (2011)
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Palancher, H., Bos, S., Bérar, J.F. et al. X-ray resonant powder diffraction. Eur. Phys. J. Spec. Top. 208, 275–289 (2012). https://doi.org/10.1140/epjst/e2012-01624-1
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DOI: https://doi.org/10.1140/epjst/e2012-01624-1