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  • 1
    Electronic Resource
    Electronic Resource
    Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex (1997)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 53 (1997), S. 1909-1911 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S010827019701024X
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  • 2
    Electronic Resource
    Electronic Resource
    Profile analysis application in the modelling of multiwave diffraction (1991)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 24 (1991), S. 910-912 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The results of intensity profile analysis of Bragg reflections are used for the calculation of the reflectivity Q(Δθij, σij) = W(Δθij, σij)(|F|2Lp)ij in the energy transfer equation for multiwave X-ray diffraction in crystals. The diffraction profiles in the profile analysis are fitted by different analytical functions and the fitting results are used for modelling the multiwave diffraction. The results of modelling multiwave diffraction in Si and V3Si crystals with different grades of perfection demonstrate that the method suggested here is sensitive to the content of defects in crystals and can be used not only for simultaneous reflection correction in X-ray structure analysis but also for estimation of single-crystal perfection.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889891004363
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  • 3
    Electronic Resource
    Electronic Resource
    Correction for absorption and beam inhomogeneity in X-ray single-crystal diffractometry: method of analytical integration (1990)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 23 (1990), S. 94-98 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A computational method of absorption correction in X-ray diffractometry for single crystals in the shape of convex polyhedra bathed in an inhomogeneous and in a homogeneous X-ray beam is suggested. An absorption correction is calculated for each reflection of the data set using the measured coordinates of the specimen vertices and the experimentally measured intensity distribution in the primary beam. The program ABSCOR is written in Fortran and may be readily adopted to any four-circle diffractometer and data format. The results of the method described for crystals of different dimensions and different absorption coefficients are given. It is shown that beam inhomogeneity strongly influences the reflection intensity of large non-isometric crystals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889889012434
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  • 4
    Electronic Resource
    Electronic Resource
    The influence of laser radiation on X-ray diffraction in ferroelectric crystals with nonlinear optical properties (1991)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 24 (1991), S. 74-76 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The influence of laser radiation (λ = 532, 630 nm) on X-ray diffraction in nonlinear ferroelectric LiNbO3:Fe(0.01–0.02%) and triglycine sulfate (3C2H5NO2.H2O4S) crystals has been studied. The laser radiation was applied to the sample on a four-circle X-ray diffractometer through a flexible optical fiber. The end of the light guide was fixed in a special attachment installed on the goniometer head and allowed the laser beam to be oriented along some chosen direction in a crystal and to maintain this orientation during the whole process of data collection over the reflection sphere. The output power of laser radiation at the end of the light guide was 7 to 10 mW (or about 0.3 W cm−2). The sample irradiation by laser light led to a visible increase of intensity for some reflections (up to 34%). A noticeable difference in the extinction parameters of the samples was found between the sets of reflections measured under normal conditions and those measured under laser irradiation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889890010160
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  • 5
    Electronic Resource
    Electronic Resource
    ORBICAL – a program for calculation of orbital form factors of neutral atoms and ions (1994)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 27 (1994), S. 1050-1051 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A program has been developed to calculate form factors of every orbital of free neutral atoms or ions. The method is based on the use of analytical Slater-type atomic wavefunctions. The program also allows the calculation of atomic and orbital form factors of an atom with a shifted radial argument. As a result, ORBICAL can also be used for modeling of atomic disorder in crystals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889894004085
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  • 6
    Electronic Resource
    Electronic Resource
    On the interpretation of X-ray diffraction effects in ferroelectric crystals subjected to laser irradiation (1992)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 25 (1992), S. 800-801 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In an earlier X-ray investigation of ferroelectric single crystals of LiNbO3:Fe and triglycine sulfate (3C2H5NO2. H2SO4) subjected to laser irradiation [Zhukov, Fetisov & Aslanov (1991). J. Appl. Cryst. 24, 74–76], a large increase (greater than 20%) in the integrated intensities of Bragg reflections was found. An attempt to explain the observed effects is given here with the aid of additional experimental results and consideration of the abnormal photovoltaic effect (APE) followed by a deformation of the domain structure of the crystal.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889892004837
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  • 7
    Electronic Resource
    Electronic Resource
    Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone (1996)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 52 (1996), S. 1853-1856 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270196000625
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  • 8
    Electronic Resource
    Electronic Resource
    Triclinic α-LiNaCO3 (1996)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 52 (1996), S. 1-3 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The structure of room-temperature triclinic lithium sodium carbonate, LiNaCO3, is built up of layers; one of them contains all Na+ cations and one-third of carbonate anions and the other contains all Li+ cations with the remaining anions. The triclinic unit cell is formed by the distortion of the high-temperature hexagonal unit cell.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270195010584
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  • 9
    Electronic Resource
    Electronic Resource
    The use of continuous atomic distributions in structural investigations (1994)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 50 (1994), S. 601-605 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A simple method of describing the scattering from an atom continuously distributed in the unit cell is proposed. Some experimental applications in structural investigations are presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S010876739400173X
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  • 10
    Electronic Resource
    Electronic Resource
    Software and methods for precise X-ray analysis (1992)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 25 (1992), S. 451-454 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The software package PPXA (programs for precise X-ray analysis) is described, which provides crystallographers with increased precision and reliability of the results of X-ray analysis. The package includes programs for: testing the quality of an automatic four-circle X-ray diffractometer before X-ray experiments; optimization of X-ray diffraction experiments; preliminary processing of experimental data; precise structure analysis up to electron density distribution. The programs for diffractometer testing allow the experimenter to check the stability and precision of the instrument, the homogeneity of the X-ray beam and the detector sensitivity. The programs for preliminary data processing include: corrections for absorption, taking into account the intensity distribution in the X-ray beam cross section; correction or elimination of the simultaneous reflection effect; background subtraction, correcting the effects of the scan-interval cut-off; correction for thermal diffuse scattering (TDS) for crystals in cases of both known and unknown elasticity constants. The programs for precise crystal structure refinement include options for the determination of primary- and secondary-extinction parameters, atomic coordinates, thermal-vibration parameters in harmonic and anharmonic approximations, occupation of atomic positions, atom-core and valence-shell occupation parameters. The programs were written for a MicroVAX-II computer with a VAX/VMS operating system and designed to work with CAD-4 diffractometers and the SDP-Plus software package. A suitable dialogue with a menu system and detailed user's instructions are available.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889891014243
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