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Structure characterization with neutron powder data of LaGaO3 and NdGaO3 based on X-ray single-crystal data: evidence for an inversion center

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 211 Issue 12

Abstract

From neutron powder diffraction intensities it is often problematic to distinguish between centrosymmetry and non-centrosymmetry. X-ray single crystal diffraction may be more accurate. In this paper we compare refinement results of crystal structures on the basis of neutron powder data of orthorhombic NdGaO3 (300 K) and of rhombohedral LaGaO3 (573 K), obtained from non-centrosymmetric and centrosymmetric starting models. By using of X-ray single crystal measurements, the structures of LaGaO3 and NdGaO3 could be determined as being centrosymmetric corresponding to the space group R[unk]c and Pbnm, respectively.

Published Online: 2010-7-28
Published in Print: 1996-12-1

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

Articles in the same Issue

  1. Zirconium dodecaboride, from the ICSD CD-ROM
  2. Lipid bilayer standing waves in cell membranes
  3. Investigations on Bøggild intergrowth of intermediate plagioclase by high resolution transmission electron microscopy
  4. Syntheses and crystal structures of EuZnIn, EuPtIn and EuZnSn: three different site occupancies of the transition metal and indium (tin) atoms on the copper position of the CeCu2 type
  5. Structure characterization with neutron powder data of LaGaO3 and NdGaO3 based on X-ray single-crystal data: evidence for an inversion center
  6. Studies on peroxomolybdates XX. Crystal structure of ammonium dodecaoxodiperoxotetramolybdate(VI)-water(1/2), (NH4)4[Mo4O12(O2)2] · 2H2O1
  7. The crystal structure of p-fluorobenzyltriphenyltin (IV)
  8. Crystal structure, thermal expansion and elastic properties of triclinic betaine hydrogen dihydrogen triiodate, ((CH3)3NCH2COOH)H2(IO3)3
  9. μ-Bromo-μ-phosphido-bis(tetracarbonylmanganese) and di-μ-phosphido-bis(tetracarbonylmanganese). Co-crystallization and disorder
  10. The structure of [(C2H5)(CH3)2(C6H5)N]3Bi2Cl9 at room temperature
  11. Molecular complexes of diphenyltin dichloride and tri(p-chlorophenyl)tin chloride with diphenylcyclopropenone
  12. The structures of two [2π + 2π] cycloaddition adducts
  13. Crystal structure of manganese chlorine boracite, Mn3B7O13Cl
  14. Crystal structure of manganese bromine boracite, Mn3B7O13Br
  15. Crystal structure of manganese iodine boracite, Mn3B7O13I
  16. Crystal structure of mercury chromium selenide, Cr2HgSe4
  17. Crystal structure of dititanium monoselenide, Ti2Se
  18. Crystal structure of octatitanium triselenide, Ti8Se3
  19. Crystal structure of dipotassium copper niobium tetrasulfide, K2CuNbS4
  20. Crystal structure of dirubidium silver niobium tetraselenide, Rb2AgNbSe4
  21. Crystal structure of potassium dicopper vanadium tetrasulfide, KCu2VS4
  22. Redetermination of the crystal structure of barium tetrafluorozincate, BaZnF4, at 295 K and 113 K
  23. Crystal structure of low temperature form of hexaaqua magnesium hexafluorogermanate, [Mg(H2O)6]GeF6
  24. Crystal structure of [SP-4-(R*,R*)]-(+/−)-1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane)nickel(II) Perchlorate, C42H42Cl2O8NiP4
  25. Crystal structure of [SP-5-(R*,R*)]-(+/−)-chloro(1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane)nickel(II) hexafluorophosphate, C42H42ClF6NiP5
  26. Crystal structure of 6-amino-1H-phenalene-1-one, C13H9NO
  27. Crystal structure of 2-chloro-6-methylamino-1H-phenalene-1-one, C14H10CINO
  28. Crystal structure of 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecan-1-ol, C17H23F13O
  29. Crystal structure of dimethyl spiro[(1aβ,1bα,2β,9β,9aα,9bβ)-1a,1b,2,9, 9a,9b-hexahydro-2,9-methano-3,8-dimethoxy-1H-cyclo-propa[3,4]cyclo-buta[1,2-b]anthracene-1,9′-(4′,5′-diazafluorene)]-1a,9b-dicarboxylate, C34H28N2O6
  30. Crystal structure of 3-(2-hydroxyphenyl)-2-propene-1-one, C15H12O2
  31. Crystal structure of cis-dineopentyl-[η2-bis(di-tert-butylphosphino)-methane] platinum(II), C27H60P2Pt
  32. Crystal structure of 2,2-difluoro-6-(2-(4-dimethylaminophenyl)-ethenyl)-4-(4-fluorphenyl)-1,3,2-2H-dioxaborine, C19H17BF3NO2
  33. Crystal structure of 1-thioxo-1,3-diphenyl-3-phenylamino-2-propene, (C6H5)NHC(C6H5)CHC(C6H5)S
  34. Crystal structure of 5-tert-butyl-2,2-dimethyl-1,3-bis-(2-trimethylsilylethinyl)-cyclohexane-1,3-diol, C22H40O2Si2
  35. Crystal structure of tert-butyl (+)-(1S,5R,6R,7S,8R,4′S)-8-hydroxy-6-(2′,2′-dimethyl-1′,3′-dioxolan-4′-yl)-2-oxobicyclo[3.2.1]octane-T-carboxylate, C18H28O6
  36. Crystal structure of tert-butyl (−)-(1S,5R,8R,4′S)-8-(2′,2′-dimethyl-1′,3′-dioxolan-4′-yl)-2,6-dioxobicyclo[3.2.1]octane-1-carboxylate, C18H26O6
  37. Crystal structure of 5-tert-butyl-3-ethinyl-2,2-dimethyl-1-(2-trimethylsilyl-ethinyl)-cyclohexane-1,3-diol, C19H32O2Si
  38. Crystal structure of (1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis-[3-(1,2:5,6-bis-O-isopropyliden-D-mannitol)], C28H54O13Si2
  39. Crystal structure of [(R,S)-1,2-bis(4-fluorophenyl)ethylenediamine]diiodoplatinum(II) dimethylformamide, [{(FC6H4)(CHNH2)}2PtI2] · OCHN(CH3)2
  40. Crystal structure of 4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride monohydrate, C11H13N · HCl · H2O
  41. Crystal structure of 4-azonia-4-trihydridoborato-9,10-dimethoxymethyl-4-methyl[7]paracyclophane, C17H30BNO2
  42. Crystal structure of dimethyl syn-6,9-epoxy-6,9-dihydro-1,5-pentano-3-benzoxepin-7,8-dicarboxylate, C19H20O6
  43. Crystal structure of aqua-bis(2,9-dimethyl-1,10-phenanthroline)-p-toluenesulfonatoruthenium(II)p-toulenesulfonate–methanol–hydrate(1/2/2), [Ru(C14H12N2)2(CH3C6H4SO3)(OH2)]CH3C6H4SO3 · 2CH3OH · 2H2O
https://doi.org/10.1524/zkri.1996.211.12.891

Articles in the same Issue

  1. Zirconium dodecaboride, from the ICSD CD-ROM
  2. Lipid bilayer standing waves in cell membranes
  3. Investigations on Bøggild intergrowth of intermediate plagioclase by high resolution transmission electron microscopy
  4. Syntheses and crystal structures of EuZnIn, EuPtIn and EuZnSn: three different site occupancies of the transition metal and indium (tin) atoms on the copper position of the CeCu2 type
  5. Structure characterization with neutron powder data of LaGaO3 and NdGaO3 based on X-ray single-crystal data: evidence for an inversion center
  6. Studies on peroxomolybdates XX. Crystal structure of ammonium dodecaoxodiperoxotetramolybdate(VI)-water(1/2), (NH4)4[Mo4O12(O2)2] · 2H2O1
  7. The crystal structure of p-fluorobenzyltriphenyltin (IV)
  8. Crystal structure, thermal expansion and elastic properties of triclinic betaine hydrogen dihydrogen triiodate, ((CH3)3NCH2COOH)H2(IO3)3
  9. μ-Bromo-μ-phosphido-bis(tetracarbonylmanganese) and di-μ-phosphido-bis(tetracarbonylmanganese). Co-crystallization and disorder
  10. The structure of [(C2H5)(CH3)2(C6H5)N]3Bi2Cl9 at room temperature
  11. Molecular complexes of diphenyltin dichloride and tri(p-chlorophenyl)tin chloride with diphenylcyclopropenone
  12. The structures of two [2π + 2π] cycloaddition adducts
  13. Crystal structure of manganese chlorine boracite, Mn3B7O13Cl
  14. Crystal structure of manganese bromine boracite, Mn3B7O13Br
  15. Crystal structure of manganese iodine boracite, Mn3B7O13I
  16. Crystal structure of mercury chromium selenide, Cr2HgSe4
  17. Crystal structure of dititanium monoselenide, Ti2Se
  18. Crystal structure of octatitanium triselenide, Ti8Se3
  19. Crystal structure of dipotassium copper niobium tetrasulfide, K2CuNbS4
  20. Crystal structure of dirubidium silver niobium tetraselenide, Rb2AgNbSe4
  21. Crystal structure of potassium dicopper vanadium tetrasulfide, KCu2VS4
  22. Redetermination of the crystal structure of barium tetrafluorozincate, BaZnF4, at 295 K and 113 K
  23. Crystal structure of low temperature form of hexaaqua magnesium hexafluorogermanate, [Mg(H2O)6]GeF6
  24. Crystal structure of [SP-4-(R*,R*)]-(+/−)-1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane)nickel(II) Perchlorate, C42H42Cl2O8NiP4
  25. Crystal structure of [SP-5-(R*,R*)]-(+/−)-chloro(1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane)nickel(II) hexafluorophosphate, C42H42ClF6NiP5
  26. Crystal structure of 6-amino-1H-phenalene-1-one, C13H9NO
  27. Crystal structure of 2-chloro-6-methylamino-1H-phenalene-1-one, C14H10CINO
  28. Crystal structure of 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecan-1-ol, C17H23F13O
  29. Crystal structure of dimethyl spiro[(1aβ,1bα,2β,9β,9aα,9bβ)-1a,1b,2,9, 9a,9b-hexahydro-2,9-methano-3,8-dimethoxy-1H-cyclo-propa[3,4]cyclo-buta[1,2-b]anthracene-1,9′-(4′,5′-diazafluorene)]-1a,9b-dicarboxylate, C34H28N2O6
  30. Crystal structure of 3-(2-hydroxyphenyl)-2-propene-1-one, C15H12O2
  31. Crystal structure of cis-dineopentyl-[η2-bis(di-tert-butylphosphino)-methane] platinum(II), C27H60P2Pt
  32. Crystal structure of 2,2-difluoro-6-(2-(4-dimethylaminophenyl)-ethenyl)-4-(4-fluorphenyl)-1,3,2-2H-dioxaborine, C19H17BF3NO2
  33. Crystal structure of 1-thioxo-1,3-diphenyl-3-phenylamino-2-propene, (C6H5)NHC(C6H5)CHC(C6H5)S
  34. Crystal structure of 5-tert-butyl-2,2-dimethyl-1,3-bis-(2-trimethylsilylethinyl)-cyclohexane-1,3-diol, C22H40O2Si2
  35. Crystal structure of tert-butyl (+)-(1S,5R,6R,7S,8R,4′S)-8-hydroxy-6-(2′,2′-dimethyl-1′,3′-dioxolan-4′-yl)-2-oxobicyclo[3.2.1]octane-T-carboxylate, C18H28O6
  36. Crystal structure of tert-butyl (−)-(1S,5R,8R,4′S)-8-(2′,2′-dimethyl-1′,3′-dioxolan-4′-yl)-2,6-dioxobicyclo[3.2.1]octane-1-carboxylate, C18H26O6
  37. Crystal structure of 5-tert-butyl-3-ethinyl-2,2-dimethyl-1-(2-trimethylsilyl-ethinyl)-cyclohexane-1,3-diol, C19H32O2Si
  38. Crystal structure of (1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis-[3-(1,2:5,6-bis-O-isopropyliden-D-mannitol)], C28H54O13Si2
  39. Crystal structure of [(R,S)-1,2-bis(4-fluorophenyl)ethylenediamine]diiodoplatinum(II) dimethylformamide, [{(FC6H4)(CHNH2)}2PtI2] · OCHN(CH3)2
  40. Crystal structure of 4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride monohydrate, C11H13N · HCl · H2O
  41. Crystal structure of 4-azonia-4-trihydridoborato-9,10-dimethoxymethyl-4-methyl[7]paracyclophane, C17H30BNO2
  42. Crystal structure of dimethyl syn-6,9-epoxy-6,9-dihydro-1,5-pentano-3-benzoxepin-7,8-dicarboxylate, C19H20O6
  43. Crystal structure of aqua-bis(2,9-dimethyl-1,10-phenanthroline)-p-toluenesulfonatoruthenium(II)p-toulenesulfonate–methanol–hydrate(1/2/2), [Ru(C14H12N2)2(CH3C6H4SO3)(OH2)]CH3C6H4SO3 · 2CH3OH · 2H2O
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