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Anisotropy of anomalous scattering in X-ray diffraction. ‘Forbidden’ axial reflections in tetragonal space groups

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 209 Issue 2

Abstract

In continuation of an earlier study on monoclinic and orthorhombic space groups, the effects of Anisotropic Anomalous Scattering (AAS) on the systematically extinct (‘forbidden’) axial reflections of all tetragonal space groups are investigated under the limiting conditions of purely σ-polarized radiation and one generally positioned ‘edge atom’ in the asymmetric unit. The compilation of the results, Polarized Structure Factors and ensuing characteristic intensity functions, I([unk],Ψ), offers a concise survey over the different cases of relevant symmetry, and contributes to the understanding of FRED (Forbidden Reflection near Edge Diffraction). One interesting application of FRED is partial structure determination, i.e. the derivation of possible ‘edge atom’ coordinates, from the intensity variations I([unk],Ψ), of a small number of ‘forbidden’ axial reflections. The method is invariant against the normally unknown AAS so that nothing but the occurrence of AAS and a few intensity measurements at selected azimuthal settings are required. Characteristic cases for both h00 and 00l reflections are discussed.

Published Online: 2010-7-28
Published in Print: 1994-2-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. The effective shapes and sizes of Cu2+ and Mn3+ ions in oxides and fluorides
  2. Determination of cation distributions by anomalous dispersion
  3. The NaAlSiO4 nepheline-carnegieite solid-state transformation
  4. Dielectric, pyroelectric, piezoelectric and optical investigation of the phase transition sequence in BaZnGeO4
  5. Anisotropy of anomalous scattering in X-ray diffraction. ‘Forbidden’ axial reflections in tetragonal space groups
  6. Growth and dissolution morphology of Ge crystals formed in GeI2-GeI4 vapor mixtures
  7. Ab initio direct phasing of proteins: the limits
  8. Rutile type derivatives
  9. Zn3Pt9B4, Ga2,7Ir9B5 und Ga3Pt9B4, Zink- und Gallium-Übergangsmetallboride mit neuen Kanalstrukturen
  10. Bestimmung der Strukturen von Ba(OH)Cl, Ba(OD)Cl und Ba(OD)Br durch Röntgeneinkristall- und Neutronenpulver-Messungen
  11. Kristallzüchtung und Einkristallstrukturverfeinerungen der Rhodium(III)-phosphate RhPO4 und RhP3O9
  12. Crystal and molecular structure of bis(3-cyano-2,4 pentanedionato)-bis(N,N-dimethylethylenediamine)copper(II). An unusual conformation and co-ordination of a β-dione
  13. Electro-optic and electrostrictive properties of the complex thiosulphates (NH4)9[Cu(S2O3)4]Br2, (NH4)9[Cu(S2O3)4]I2, and (NH4)9[Ag(S2O3)4]Br2
  14. Structures of the trans and cis isomers of 3,5-dioxo-3,5-diisopropoxy-1,3,5-thiadiphosphorinane
  15. Crystal structure of rubidium pentanitrato-scandate(III), Rb2Sc(NO3)5
  16. Crystal structure of tetrabarium bis(dinitridoborate) monoxide, Ba4(BN2)2O
  17. Crystal structure of lithium tetracalcium tris(dinitridoborate), LiCa4(BN2)3
  18. Crystal structure of 9-cis-5,9-bis(desmethyl)-9-methoxy-5-trifluoromethyl-β-ionylideneacetic acid ethyl ester, C17H23F3O3
  19. Crystal structure of 9-cis-5,9-bis(desmethyl)-5,9-bis(trifluoromethyl)-retinonitrile, C20H21F6N
  20. Crystal structure of bis(tetraphenylphosphonium) tetrakis(o-chlorothiophenolato)nickelate(II), [(C6H5)4P]2[Ni(SC6H4Cl)4]
  21. Crystal structure of trichlor-[2,5-di-tert-butyl-3-trimethylsilylpyrrolyl]-titanium(IV), C15H28Cl3NSiTi
  22. Crystal structure of 2-chloro-4-chloromethyl-6,7-dimethylquinoline, C12H11Cl2N
  23. Crystal structure of 1,10-phenanthrolinedichlorodiphenyltin, C24H18Cl2N2Sn
  24. Crystal structure of methyl 2-N-(diphenylmethylene)-2-propargylpent-4-ynoate, C22H19NO2
  25. Crystal structure of 5-tert-butyl-2-(2-methoxy-5-tert-butyl-phenyl)benzofuran, C23H28O2
  26. Crystal structure of bis{2-[dimethyl(2,3-dimethyl-2-butyl)silyloxy]-5-(2-methylpropyl)-phenyl}ethyne, C19H21OSi
  27. Crystal structure of 6-phenyl-1,2,3-triazine-9-carboxylic acid methyl ester, N3CCHC(C6H5)CO2(CH3)
https://doi.org/10.1524/zkri.1994.209.2.124

Articles in the same Issue

  1. The effective shapes and sizes of Cu2+ and Mn3+ ions in oxides and fluorides
  2. Determination of cation distributions by anomalous dispersion
  3. The NaAlSiO4 nepheline-carnegieite solid-state transformation
  4. Dielectric, pyroelectric, piezoelectric and optical investigation of the phase transition sequence in BaZnGeO4
  5. Anisotropy of anomalous scattering in X-ray diffraction. ‘Forbidden’ axial reflections in tetragonal space groups
  6. Growth and dissolution morphology of Ge crystals formed in GeI2-GeI4 vapor mixtures
  7. Ab initio direct phasing of proteins: the limits
  8. Rutile type derivatives
  9. Zn3Pt9B4, Ga2,7Ir9B5 und Ga3Pt9B4, Zink- und Gallium-Übergangsmetallboride mit neuen Kanalstrukturen
  10. Bestimmung der Strukturen von Ba(OH)Cl, Ba(OD)Cl und Ba(OD)Br durch Röntgeneinkristall- und Neutronenpulver-Messungen
  11. Kristallzüchtung und Einkristallstrukturverfeinerungen der Rhodium(III)-phosphate RhPO4 und RhP3O9
  12. Crystal and molecular structure of bis(3-cyano-2,4 pentanedionato)-bis(N,N-dimethylethylenediamine)copper(II). An unusual conformation and co-ordination of a β-dione
  13. Electro-optic and electrostrictive properties of the complex thiosulphates (NH4)9[Cu(S2O3)4]Br2, (NH4)9[Cu(S2O3)4]I2, and (NH4)9[Ag(S2O3)4]Br2
  14. Structures of the trans and cis isomers of 3,5-dioxo-3,5-diisopropoxy-1,3,5-thiadiphosphorinane
  15. Crystal structure of rubidium pentanitrato-scandate(III), Rb2Sc(NO3)5
  16. Crystal structure of tetrabarium bis(dinitridoborate) monoxide, Ba4(BN2)2O
  17. Crystal structure of lithium tetracalcium tris(dinitridoborate), LiCa4(BN2)3
  18. Crystal structure of 9-cis-5,9-bis(desmethyl)-9-methoxy-5-trifluoromethyl-β-ionylideneacetic acid ethyl ester, C17H23F3O3
  19. Crystal structure of 9-cis-5,9-bis(desmethyl)-5,9-bis(trifluoromethyl)-retinonitrile, C20H21F6N
  20. Crystal structure of bis(tetraphenylphosphonium) tetrakis(o-chlorothiophenolato)nickelate(II), [(C6H5)4P]2[Ni(SC6H4Cl)4]
  21. Crystal structure of trichlor-[2,5-di-tert-butyl-3-trimethylsilylpyrrolyl]-titanium(IV), C15H28Cl3NSiTi
  22. Crystal structure of 2-chloro-4-chloromethyl-6,7-dimethylquinoline, C12H11Cl2N
  23. Crystal structure of 1,10-phenanthrolinedichlorodiphenyltin, C24H18Cl2N2Sn
  24. Crystal structure of methyl 2-N-(diphenylmethylene)-2-propargylpent-4-ynoate, C22H19NO2
  25. Crystal structure of 5-tert-butyl-2-(2-methoxy-5-tert-butyl-phenyl)benzofuran, C23H28O2
  26. Crystal structure of bis{2-[dimethyl(2,3-dimethyl-2-butyl)silyloxy]-5-(2-methylpropyl)-phenyl}ethyne, C19H21OSi
  27. Crystal structure of 6-phenyl-1,2,3-triazine-9-carboxylic acid methyl ester, N3CCHC(C6H5)CO2(CH3)
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