Potential of the INEL X-ray position-sensitive detector: a general study of the Debye–Scherrer setting

Evain, Michel; Deniard, Philippe; Jouanneaux, A.; Brec, R.

doi:10.1107/s0021889893001670

Cited by 119 publications

(89 citation statements)

References 12 publications

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“…The peak positions were determined by pseudo-Voigt fittings using the Peakoc application from Diffractinel software. 39 The samples were introduced into 0.5-mm-diameter Lindemann capillaries which rotate along their longitudinal axes during data collection to prevent the effects of the preferred orientations. The system is equipped with a liquid nitrogen 600 series Cryostream Cooler from…”

Section: 4mentioning

confidence: 99%

Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol

Hassine

Négrier

Barrio

et al. 2015

Crystal Growth & Design

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The polymorphism of 1-adamantane-methanol C 11 H 18 O has been investigated by differential thermal analysis and single-crystal and powder X-ray diffraction. Below the melting temperature (389.5 ± 0.4 K), this compound exhibits an orthorhombic phase (Phase I, Pnnm, Z=12, Z'=1.5). The melting enthalpy was determined to be 20.5 ± 0.4 kJ mol −1 , i.e.,with an entropy change of (6.34 ± 0.13)R, which is much higher than the quoted value fromTimmermans for the melting orientationally disordered phases (2.5R), thus supporting the orientationelly ordered character of phase I. This orthorhombic phase I exhibits a statistical disorder of the hydrogen atom related to the oxygen atom, due to the position of one independent molecule on the mirror. At ca. 272 K, phase I transforms continuously through an order-disorder transition to a low-temperature monoclinic phase II (P2 1 /n, Z=12, Z'=3). The monoclinic and orthorhombic phases are related by a group-subgroup relationship, which perfectly agrees with the continuous character of the II to I transition. Moreover, by a convenient choice of an order parameter related to the continuous tilt of the c-axis, the critical exponent for this transition is found to be close to the theoretical prediction of 3D-Ising model (with a critical exponent is of ca. 0.27).

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Section: 4mentioning

confidence: 99%

Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol

Hassine

Négrier

Barrio

et al. 2015

Crystal Growth & Design

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“…The generator power was set to 1.0 kW (40 kV and 25 mA). PEAKOC application from DIFFRACTINEL software was used for the calibration and for the peak position determinations after pseudoVoigt fittings [28].…”

Section: X-ray Diffractionmentioning

confidence: 99%

Monoclinic mixed crystals of halogenomethanes CBr4−nCln (n=0,…,4)

Négrier¹,

Tamarit

Pardo

et al. 2007

Chemical Physics

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On the basis of the isostructural relationship between the low temperature monoclinic (C2/c, Z = 32) phases of the halogenomethane CBr 4Àn Cl n (n =0, ..., 4), a set of mixed crystals has been analysed by means of high resolution X ray powder diffraction. It is shown that the monoclinic structure of pure and mixed crystals does not depend of the particularities of the dipolar (or dipole induced) interactions of the pure compound, neither on the composition of the mixed crystal, but on the relative content of the halogen atoms which controls the size of the molecule or the average molecule for the case of mixed crystals.

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“…Samples are introduced into 0.5 mm diameter Lindemann glass capillaries, which are rotated around their axis during the experiment to minimize preferential orientation of crystallites. External calibration to convert the measured 4096 channels to 2θ degrees was applied using cubic Na 2 Ca 2 Al 2 F 4 (high angle calibration) 39 mixed with silver behenate (low angle calibration). 40 The time of acquisition was set to 17 h to obtain reflections with exploitable intensities.…”

Section: Methodsmentioning

confidence: 99%

X-ray Structural Investigation of Nonsymmetrically and Symmetrically Alkylated [1]Benzothieno[3,2-b]benzothiophene Derivatives in Bulk and Thin Films

Gbabode

Dohr

Niebel

et al. 2014

ACS Appl. Mater. Interfaces

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A detailed structural study of the bulk and thin film phases observed for two potential high performance organic semi conductors has been carried out. The molecules are based on [1]benzothieno[3,2 b]benzothiophene (BTBT) as conjugated core and octyl side groups, which are anchored either symmetrically at both sides of the BTBT core (C 8 −BTBT−C 8 ) or nonsymmetrically at one side only (C 8 −BTBT). Thin films of different thickness (8−85 nm) have been prepared by spin coating for both systems and analyzed by combining specular and grazing incidence X ray diffraction. In the case of C 8 −BTBT−C 8 , the known crystal structure obtained from single crystal investigations is observed within all thin films, down to a film thickness of 9 nm. In the case of C 8 −BTBT, the crystal structure of the bulk phase has been determined from X ray powder diffraction data with a consistent matching of experimental and calculated X ray diffraction patterns (Rwp = 5.8%). The packing arrangement of C 8 −BTBT is similar to that of C 8 −BTBT−C 8 , that is, consisting of a lamellar structure with molecules arranged in a "herringbone" fashion, yet with lamellae composed of two head to head (or tail to tail as the structure is periodic) superimposed molecules instead of only one molecule for C 8 −BTBT−C 8 . As for C 8 −BTBT−C 8 ,we demonstrate that the same phase is observed in bulk and thin films for C 8 −BTBT whatever the film thickness investigated.

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Potential of the INEL X-ray position-sensitive detector: a general study of the Debye–Scherrer setting

Cited by 119 publications

References 12 publications

Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol

Phase Transition in Hydrogen-Bonded 1-Adamantane-methanol

Monoclinic mixed crystals of halogenomethanes CBr4−nCln (n=0,…,4)

X-ray Structural Investigation of Nonsymmetrically and Symmetrically Alkylated [1]Benzothieno[3,2-b]benzothiophene Derivatives in Bulk and Thin Films

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