Betaine arsenate, (CH3)3NCH2COO · D3AsO4: Structure refinement using multiple-wavelength synchrotron radiation data

Zeitschrift fur Kristallographie - New Crystal Structures

Volumn 212, Issue 9, 1997, Pages 671-678

  Kek, S ^a   Grotepass Deuter M ^a   Fischer, K ^a   Eichhorn, K ^b  

^a SAARLAND UNIVERSITY   (Germany)

^b UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000176385     PISSN: 14337266     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.1997.212.9.671     Document Type: Article

References (49)

1. Abrahams, S. C.; Keve, E. T.: Normal Probability Plot Analysis of Error in Measured and Derived Quantities and Standard Deviations. Acta Crystallogr. A27 (1971) 157-165.
2. Albers, J.: Betaine compounds - A new family with ferroelectric and incommensurate phases. Ferroelectrics 78 (1988) 3-10.
3. Albers, J.; Klöpperpieper, A.; Müser, H. E.; Rother, H. J.: Ferroelectric and antiferroelectric properties of deuterated betaine arsenate and betaine phosphate. Ferroelectrics 54 (1984) 45-48.
4. Becker, P.; Coppens, P.: Extinction within the limit of validity of the Darwin transfer equations. I. General formalism for primary and secondary extinction and their application to spherical crystals. Acta Crystallogr. A30 (1974a) 129-147.
5. Becker, P.; Coppens, P.: Extinction within the limit of validity of the Darwin transfer equations. II. Refinement of extinction in spherical crystals of SrF, and LiF. Acta Crystallogr. A30 (1974b) 148-153.
6. Bracewell, R. N.: The Hartley Transform. Oxford University Press, Oxford 1986.
7. Brill, W.; Gmelin, E.; Ehses, K.-H.: Spezifische Wärme von Betaincalciumchlorid-Dihydrat. Z. Kristallogr. 182 1988 45-46.
8. Brill W.; Grotepaß-Deuter, M.; Schramm, V.; Spilker, J.: Personal communication of unpublished results (1987).
9. Brill, W.; Schildkamp, W.; Spilker, J.: Die Kristallstruktur der Hochtemperaturphase von Betaincalciumchlorid-Dihydrat, (CH3)3NCH2COO CaCb 2 H2O. Z. Kristallogr. 172 (1985) 281-284.
10. Burnett, M. N.; Johnson, C. K.: ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for Crystal Structure Illustrations. Report ORNL-6895, Oak Ridge National Laboratory, Oak Ridge, Tennessee 1996.
11. Busing, W. R.; Levy, H. A.; Martin, K. O.: ORFLS: A FORTRAN Crystallographic Least-Squares Program. Report ORNL-TM-305, Oak Ridge National Laboratory, Oak Ridge, Tennessee 1962.
12. Busing, W. R.; Martin, K. O.; Levy, H. A.: ORFFE: A FORTRAN Crystallographic Function and Error Program. Report ORNL-TM-306, Oak Ridge National Laboratory, Oak Ridge, Tennessee 1964.
13. Cromer, D. T.: Calculation of anomalous scattering factors at arbitrary wavelengths. J. Appl. Crystallogr. 16 (1983) 437.
14. Cromer, D. T.; Liberman, D. A.: Relativistic calculation of anomalous scattering factors for X-rays. J. Chem. Phys. 53 (1970) 1891-1898.
15. Cromer, D. T.; Liberman, D. A.: Anomalous dispersion calculations near to and on the long-wavelength side of an absorption edge. Acta Crystallogr. A37 (1981) 267-268.
16. Dörffel, M.: Strukturelle und kristallographische Untersuchungen an Betainnitrat, Betainborat und Betainphosphit. Dissertation, Universität Köln, Germany 1989.
17. Dörffel, M.; Narz, Th.; Haussühl, S.: Struktur and Phasenübergänge des monoklinen Betainphosphits, (CH3)3NCH2COO H3P03. Z. Kristallogr. 186 (1989) 71-73.
18. Dreier, P; Rabe, P.; Malzfeldt, W.; Niemann, W.: Anomalous x-ray scattering factors calculated from experimental absorption spectra. J. Phys. C 17 (1984) 3123-3136.
19. Eichhorn, K.: DISCO-Calculation of/’ and/” from both EXAFS scans and theory. Revision 3.0. HASYLAB, Hamburg 1987 (unpublished).
20. Fischer, K. F.: Difference Patterson functions at 3 or 4 wavelengths. The “A-technique” as an approach to the phase problem. Z. Kristallogr. 179 (1987) 77-95.
21. Fischer, M. S.; Templeton, D. H.; Zalkin, A.: Solid State Structure and Chemistry of the Choline Halides and their Analogues. Redetermination of the Betaine Hydrochloride Structure. [(CH3)3NCH2COOH]+CL. Acta Crystallogr. B26 (1970) 1392-1397.
22. Grotepaß-Deuter, M.: Methodische Untersuchungen zur Strukturanalyse mit Hilfe der Lambda-Technik (Beispiel: Deuteriertes Betainarsenat). Dissertation, Universität Saarbrücken, Germany 1989.
23. Haussühl, S.: Ferroelastic phase transition and anomalous elastic and thermoelastic properties of betaine borate, (CH3)3NCH2COO H3B03. Solid State Commun. 50 (1984) 63-65.
24. Haussühl, S.: Ferroelastic phase transition and elastic properties of orthorhombic betaine hydrogen maleinate, (CH3)3NCH2COO · (CH2)2(COOH)2. Solid State Commun. 68 (1988) 963-966.
25. Haussühl, S.: Elastic and thermoelastic poperties of twelve adducts of betaine, (CH3)3NCH2COO, with H2O, HCl, HBr, HI, HNO., H2S04, H3P03, H3P04, 1,4-toluene sulfonic acid, MnCl2 and KBr. Z. Kristallogr. 188 (1989) 311-320.
26. Haussühl, S.; Liedke, J.; Albers, J.; Klöpperpieper, A.: Anomalous elastic properties of betaine calcium chloride dihydrate, (CH3)3NCH2COO · CaCl2 · 2 H2O. Z. Phys. B70 (1988) 219-222.
27. Haussùhl, S.; Schreuer, J.: Crystal structure, thermal expansion and elastic properties of triclinic betaine hydrogen ammonium sulfate, ((CH3)3NCH2COOH)NH4S04. Z. Kristallogr. 211 (1996) 79-83.
28. Haussiihl, S.; Wang, J.: Elastic and thermoelastic properties of monoclinic betaine hydrogen Oxalate hydrate, (CH3)3NCH2COO · (COOH), Z. Kristallogr. 187 (1989) 249-251.
29. Hoyt, J. J.; De Fontaine, D.; Warburton, W. K.: Determination of the anomalous scattering factors for Cu, Ni and Ti using the dispersion relation. J. Appl. Crystallogr. 17 (1984) 344-351.
30. Ichikawa, M.: The effect of hydrogen bonding on the bond lengths and angles in the carboxyl group. J. Cryst. Mol. Struct. 9 (1979) 87-105.
31. International Tables for X-ray Crystallography, Vol. IV. Kynoch Press, Birmingham 1974.
32. International Tables for Crystallography, Vol. C, Table 9.5.1.1. Kluwer Academic Publishers, Dordrecht 1992.
33. Karle, J.: Some developments in anomalous dispersion for the structural investigation of macromolecular systems in biology. Int. J. Quantum Chem.: Quantum Biology Symposium 7 (1980) 357-367.
34. Kek, S.; Eichhorn, K.: Strukturlösungstechniken mit anomaler Dispersion. Z. Kristallogr. Suppl. 9 (1995) 377.
35. Kirfel, A.; Eichhorn, K.: Accurate structure analysis with synchrotron radiation. The electron density in A1203 and Cu2O. Acta Crystallogr. A46 (1990) 271-284.
36. Klöpperpieper, A.; Rother, H. J.; Albers, J.; Ehses, K. H.: Ferroelasticity and Ferroelectricity in Betaine Arsenate. Ferroelectrics Letters 44 (1982) 115-120.
37. Krüger. J. K.; Peetz, L.; Albers, J.; Müser, H. E.: The elastic properties of betaine arsenate and betaine phosphate determined by Brillouin spectroscopy. Ferroelectrics Letters 64 (1985) 111-116.
38. Kupcik, V.; Wendschuh-Josties, M.; Wolf, A.; Wulf, R.: 5-Kreis-Diffraktometer für Röntgenstrahlung. Z. Kristallogr. 170 (1985) 113-114.
39. Kupcik, V; Wendschuh-Josties, M.; Wolf, A.; Wulf, R.: The Five Circle Diffractometer at HASYLAB: Recent Developments. Nucl. Instrum. Methods A256 (1986) 624-626.
40. Maeda, M.: Elastic, dielectric and optical properties of ferroelectric betaine arsenate. J. Phys. Soc. Japan 57 (1988) 2162-2167.
41. Nardelli, M.: PARST95-an update to PARST: a system of Fortran routines for calculating molecular structure parameters from the results of crystal structure analyses. J. Appl. Crystallogr. 28 (1995) 659.
42. Pawley, G. S.: Constrained Refinement in Crystallography. In: Advances of Structure Research by Diffraction Methods, Vol. 4 (Eds. W. Hoppe, R. Mason), pp. 1-63, Pergamon Press, London 1972.
43. Petcov, A.: Röntgenographische Untersuchungen an Lithiumniobat, LiNb03. Auswirkungen der anisotropen chemischen Umgebung auf das Streuvermögen von Niob. Dissertation, Universität Saarbrücken 1989 and HASYLAB Internal Report 89-08, Hamburg 1989.
44. Rother, H. J.; Albers, J.; Klöpperpieper, A.; Müser, H. E.: Ferroelectricity and antiferroelectricity in partially deuterated betaine arsenate. Jpn. J. Appl. Phys. 24, Suppl. 24-2 (1985) 384-389.
45. Schildkamp, W.; Schäfer, G.; Spilker, J.: The crystal structure of betaine arsenate, (CH3)3NCH2COO H3As04, compared with antiferrodistortive betaine phosphate, (CH3)3NCH2COO H3P04. Z. Kristallogr. 168 (1984) 187-195.
46. Schildkamp, W.; Spilker, J.: Structural and antiferroelectric phase transitions in betaine phosphate, (CH3)3NCH2COO H3P04. Z. Kristallogr. 168 (1984) 159-171.
47. Templeton, L. K.; Templeton, D. K.: Cesium Hydrogen Tartrate and anomalous dispersion of Cesium. Acta Crystallogr. A34 (1978) 368-371.
48. Wang, J.; Gnanam, F. D.; Haussühl, S.: Crystal growth and physical properties of monoclinic betaine fluoroborate monohydrate, (CH3)3NCH2COO HBF4. Z. Kristallogr. 175 (1986) 155-158.
49. Zobetz, E.; Preisinger, A.: Kristallstruktur und Phasenumwandlung von Betain-Borat, (CH3)3NCH2COO B(OH)3. Monatsh. Chemie 120 (1989) 291-298.