Startseite Bestimmung der Strukturen von Ba(OH)Cl, Ba(OD)Cl und Ba(OD)Br durch Röntgeneinkristall- und Neutronenpulver-Messungen
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Bestimmung der Strukturen von Ba(OH)Cl, Ba(OD)Cl und Ba(OD)Br durch Röntgeneinkristall- und Neutronenpulver-Messungen

Veröffentlicht/Copyright: 28. Juli 2010
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Zeitschrift für Kristallographie - Crystalline Materials
Aus der Zeitschrift Zeitschrift für Kristallographie - Crystalline Materials Band 209 Heft 2

Abstract

The crystal structures of Ba(OD)Cl and Ba(OD)Br have been determined by neutron powder diffraction at 295 K and 1.5 K and Rietveld refinement methods {RI = 9.3, 8.2 [Ba(OD)Cl], 5.7, and 4.9% [Ba(OD)Br]}, that of Ba(OH)Cl by single-crystal X-ray diffraction at 295 K (R = 4.1% for 1260 reflections). They are isostructural to laurionite Pb(OH)Cl {space group Pnma, Z = 4, a = 738.97(3), b = 443.69(3), and c = 913.90(5) pm [Ba(OH)Cl], a = 738.07(4), b = 447.62(2) and c = 897.93(5) pm [Ba(OD)Cl] and a = 759.65(2), b = 438.77(1), and c = 1030.22(2) pm [Ba(OD)Br] at 295 K}. Whereas hydrogen bonds are not present in the bromide, in the case of Ba(OH)Cl weak hydrogen bonds to adjacent Cl− ions are formed which are strengthened on going down to lower temperatures due to reorientation of the OH− ions from trifurcated H-bonds to nearly linear ones. The hydrogen bonds of Ba(OD)Cl have been established to be stronger than those of Ba(OH)Cl. This becomes apparent by both the smaller cell volume [296.65(4) pm3 instead of 299.6(1) pm3] and the different transition temperature (170 K–300 K instead of 100 K–180 K).

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

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

Artikel in diesem Heft

  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.1994.209.2.157

Artikel in diesem Heft

  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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