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The crystal structure of the quartz-type form of GaPO4 and its temperature dependence

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 210 Issue 10

Abstract

The structure analyses of the quartz-type form of GaPO4 crystals were carried out by using X-ray diffraction intensities at six points of temperatures from 293 K to 747 K. Temperature dependence of the thermal and positional parameters of atoms was examined by applying the conventional harmonic structure-factor expression and also a generalized structure factor expression.

Thermal vibrations of oxygen atoms are highly anisotropic, being contributed by dominant librational motions of Ga–O–P planes around the Ga–P lines like those of the corresponding moiety in quartz or berlinite. Both the atomic positions and the directions of the principal axes of the thermal ellipsoids are quite reluctant to change with varying temperature unlike those of quartz or berlinite. According to the anharmonic refinements, the Ga–O and P–O bond distances are about 1.84 Å and 1.54 Å, respectively, which are longer than the values obtained in the harmonic refinements.

In GaPO4, the Ga–O and P–O bonds are rigid, but O–Ga–O and O–P–O angles are rather flexible, and the structure with the smaller unit-cell than that of the berlinite form of AlPO4 is maintained by bending the Ga–O–P bonds to such a small angle as 133°.

It is indicated that, if GaPO4 took the high symmetry configuration of the high temperature form of berlinite, the tetrahedral angles would be too strongly distorted.

Published Online: 2010-7-28
Published in Print: 1995-10-1

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Articles in the same Issue

  1. Refinement of polycrystalline disordered cubic silicon carbide by structure modeling and X-ray diffraction simulation
  2. A new modification of slawsonite, SrAl2Si2O8: Its structure and phase transition
  3. The crystal structure of the quartz-type form of GaPO4 and its temperature dependence
  4. Crystal structures of two nitroprussides: SmNa[Fe(CN)5NO]2 · 7H2O and GdNa[Fe(CN)5NO]2 · 7H2O
  5. Crystal and molecular structure of N-phenyl substituted 1,2-, 2,3- and 1,8-naphthalimides
  6. Kristallzucht und Einkristallstrukturanalyse von μ-Pyrazinoeisen(II)-chlorid, FeCl2(pyz)2
  7. Crystal structures of two polymorphic forms of bis-(zinc-dibutyldithiopercarbamate)
  8. Crystal structure of dicaesium tetrathiomolybdate, Cs2MoS4
  9. Crystal structure of caesium copper(I) tetrasulfide, CsCuS4
  10. Crystal structure of trisodium catena-di-μ-phosphidoaluminate, Na3AlP2
  11. Crystal structure of disodium lithium diphosphidoaluminate, Na2LiAlP2
  12. Crystal structures of trirubidium diarsenidoborate, Rb3BAs2 and trirubidium diphosphidoborate, Rb3BP2
  13. Crystal structure of calcium germanide oxide, Ca3GeO
  14. Crystal structure of l,6-bis-4′,-(2′,-bromo)-pyridine-hexane, C16H18Br2N2
  15. Crystal structure of 1,6-bis(para-methoxy-benzene)-trans-hex-1,5-diyne-3-ene, C20H16O2
  16. Crystal structure of 3,17β-dipropionoxy-9α-hydroxyestra-1,3,5(10)-triene-6-one, C24H30O6
  17. Crystal structure of (4S,11aS)-11a-ethoxycarbonyl-1,3,4,6,11,11a-hexahydro-4-methoxycarbonyl-1-oxo-[1,4]oxazino[4,3-b]isoquinoline, C17H19NO6
  18. Crystal structure of (2,4,6-tri-tert-butylphenyl)amino-dibromo-((2,4,6-tri-tert-butyl-phenyl)imino)phosphorane, C36H59Br2N2P
  19. Crystal structure of 1-ethyl-2,5-diphenyl-1-(2,4,6-tri-tert-butylphenylimino)-1,5-dihydro-2H-1λ5-phosphole, C36H48NP
  20. Crystal structure of 7-phenyl-2(E),4(E),6(E)-trienal, C13H12O
  21. Crystal structure of [2.2](2,2″)-1,1″:3′,1″-terphenylophan-1(E),21(E)-diene, C40H28
  22. Crystal structure of [2.2]1,8-biphenylenophan-1(Z),11(Z)-diene, C28H16
  23. Crystal structure of 2,15-dithia[3.3](1,3)adamantano-paracyclophane-2,2,15,15-tetroxide, C20H26O4S2
  24. Crystal structure of (2,4-di-tert-butyl-1,3-diphosphet)(2,4-di-tert-butyl-6-acetylmethyl-1,3-diphosphinine)iron, (P2C2(C4H9)2)Fe(P2C4H(C4H9)2CH2OC(O)CH3)
  25. Crystal structure of syn-6,15-di-tert-butyl-9,18-difluoro-2,11-dithia[3.3]-metacyclophane, C24H30F2S2
  26. Crystal structure of syn-6-tert-butyl-9,18-difluoro-2,11-dithia[3.3]-metacyclophane, C20H22F2S2
  27. Crystal structure of syn-6-tert-butyl-9-fluoro-2,11-dithia[3.3]metacyclophane, C20H23FS2
  28. Crystal structure of syn-6-tert-butyl-18-fluoro-2,11-dithia[3.3]metacyclophane, C20H23FS2
  29. Crystal structure of syn-5,13-di-tert-butyl-8,16-difluoro[2.2]metacyclophane, C24H30F2
  30. Mineralogie.
  31. Encyclopedia of Applied Physics.
  32. Gmelin Handbook of Inorganic and Organometallic Chemistry. TYPIX-Standardized Data and Crystal Chemical Characterization of Inorganic Structure Types.
  33. Crystal Data. Excerpt from “Systematics of Minerals”.
  34. Elementary Dislocation Theory.
  35. Clusters and Colloids. From Theory to Applications.
https://doi.org/10.1524/zkri.1995.210.10.746

Articles in the same Issue

  1. Refinement of polycrystalline disordered cubic silicon carbide by structure modeling and X-ray diffraction simulation
  2. A new modification of slawsonite, SrAl2Si2O8: Its structure and phase transition
  3. The crystal structure of the quartz-type form of GaPO4 and its temperature dependence
  4. Crystal structures of two nitroprussides: SmNa[Fe(CN)5NO]2 · 7H2O and GdNa[Fe(CN)5NO]2 · 7H2O
  5. Crystal and molecular structure of N-phenyl substituted 1,2-, 2,3- and 1,8-naphthalimides
  6. Kristallzucht und Einkristallstrukturanalyse von μ-Pyrazinoeisen(II)-chlorid, FeCl2(pyz)2
  7. Crystal structures of two polymorphic forms of bis-(zinc-dibutyldithiopercarbamate)
  8. Crystal structure of dicaesium tetrathiomolybdate, Cs2MoS4
  9. Crystal structure of caesium copper(I) tetrasulfide, CsCuS4
  10. Crystal structure of trisodium catena-di-μ-phosphidoaluminate, Na3AlP2
  11. Crystal structure of disodium lithium diphosphidoaluminate, Na2LiAlP2
  12. Crystal structures of trirubidium diarsenidoborate, Rb3BAs2 and trirubidium diphosphidoborate, Rb3BP2
  13. Crystal structure of calcium germanide oxide, Ca3GeO
  14. Crystal structure of l,6-bis-4′,-(2′,-bromo)-pyridine-hexane, C16H18Br2N2
  15. Crystal structure of 1,6-bis(para-methoxy-benzene)-trans-hex-1,5-diyne-3-ene, C20H16O2
  16. Crystal structure of 3,17β-dipropionoxy-9α-hydroxyestra-1,3,5(10)-triene-6-one, C24H30O6
  17. Crystal structure of (4S,11aS)-11a-ethoxycarbonyl-1,3,4,6,11,11a-hexahydro-4-methoxycarbonyl-1-oxo-[1,4]oxazino[4,3-b]isoquinoline, C17H19NO6
  18. Crystal structure of (2,4,6-tri-tert-butylphenyl)amino-dibromo-((2,4,6-tri-tert-butyl-phenyl)imino)phosphorane, C36H59Br2N2P
  19. Crystal structure of 1-ethyl-2,5-diphenyl-1-(2,4,6-tri-tert-butylphenylimino)-1,5-dihydro-2H-1λ5-phosphole, C36H48NP
  20. Crystal structure of 7-phenyl-2(E),4(E),6(E)-trienal, C13H12O
  21. Crystal structure of [2.2](2,2″)-1,1″:3′,1″-terphenylophan-1(E),21(E)-diene, C40H28
  22. Crystal structure of [2.2]1,8-biphenylenophan-1(Z),11(Z)-diene, C28H16
  23. Crystal structure of 2,15-dithia[3.3](1,3)adamantano-paracyclophane-2,2,15,15-tetroxide, C20H26O4S2
  24. Crystal structure of (2,4-di-tert-butyl-1,3-diphosphet)(2,4-di-tert-butyl-6-acetylmethyl-1,3-diphosphinine)iron, (P2C2(C4H9)2)Fe(P2C4H(C4H9)2CH2OC(O)CH3)
  25. Crystal structure of syn-6,15-di-tert-butyl-9,18-difluoro-2,11-dithia[3.3]-metacyclophane, C24H30F2S2
  26. Crystal structure of syn-6-tert-butyl-9,18-difluoro-2,11-dithia[3.3]-metacyclophane, C20H22F2S2
  27. Crystal structure of syn-6-tert-butyl-9-fluoro-2,11-dithia[3.3]metacyclophane, C20H23FS2
  28. Crystal structure of syn-6-tert-butyl-18-fluoro-2,11-dithia[3.3]metacyclophane, C20H23FS2
  29. Crystal structure of syn-5,13-di-tert-butyl-8,16-difluoro[2.2]metacyclophane, C24H30F2
  30. Mineralogie.
  31. Encyclopedia of Applied Physics.
  32. Gmelin Handbook of Inorganic and Organometallic Chemistry. TYPIX-Standardized Data and Crystal Chemical Characterization of Inorganic Structure Types.
  33. Crystal Data. Excerpt from “Systematics of Minerals”.
  34. Elementary Dislocation Theory.
  35. Clusters and Colloids. From Theory to Applications.
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