Martinez-Garcia, J., Arakcheeva, A., Pattison, P., Morozov, V., Chapuis, G.
The previously proposed model postulating that the incommensurately modulated KNd(MoO$_4$)$_2$ structure can act as a generator of the scheelite family members is validated here by refining the...
New stable decagonal quasicrystal in the system Al–Ir–Os (2007)
Katrych, S., Weber, Th., Kobas, M., Massüger, L., Palatinus, L., Chapuis, G., ...
Birkedal, H., Andersen, A. M. K., Arakcheeva, A., Chapuis, G., Norby, P., Pattison, P.
The structure of room-temperature ZrP2O7 is shown to be orthorhombic by a combination of high-resolution synchrotron powder diffraction and single-crystal synchrotron diffraction data. Small...
Molecular dynamics investigations of modulated phases in organic materials (2005)
In order to apply the molecular dynamics (MD) method to simulate modulated phases in organic materials, a compensating external pressure tensor is proposed to compensate for the deficiencies of the...
The alpha(2)-polymorph of salicylideneaniline (2005)
Arod, F., Gardon, M., Pattison, P., Chapuis, G.
N-Salicylideneaniline (SA), C13H11NO, belongs to the large family of aromatic Schiff bases. It is of particular importance owing to its reversible photoreactivity. SA forms two photochromic...
Arakcheeva, A., Chapuis, G., Petricek, C., Morozov, V.
The incommensurate palmierite-like structure of beta-K5Yb(MoO4)(4), potassium ytterbium tetramolydate, has been refined in the (3 + 1)- dimensional monoclinic superspace group X2/m(0 rho 0) 00, with...
A reinterpretation of the phase transitions in Na2CO3 (2005)
Based on the structural data of phases alpha (hexagonal; 756-972 K), beta (monoclinic; 605-751 K), gamma (incommensurate, monoclinic; 295 K) and delta (lock-in, monoclinic; 110 K) of sodium...
Atomic clusters and phase transitions in the metastable beta-Ta phase between 4.2 and 293 K (2005)
Atomic clusters were identified in the ground state of the non-equilibrium Ta phase (Frank-Kasper sigma-structure type) at 15, 120 and 293K. The evolution of the clusters with temperature leads to...
Correlation between modulation and structural disorder in the 4,4 '-diethoxyazoxybenzene (2004)
Pinheiro, C. B., Gardon, M., Pattison, P., Chapuis, G.
The structural refinement of the modulated phase of 4,4'-Diethoxyazoxybenzene (DXB) indicates a correlation between the shifts on the DXB molecule (modulation) and the probability to find the azoxy...
Pan, Y. S., Brown, D., Zuniga, F. J., Chapuis, G.
A molecular dynamics simulation of 4, 4'-dichlorobiphenyl sulfone was carried out in order to study the phase transition from a normal to incommensurate modulated phase observed experimentally....
Molecular dynamics study of tryptophylglycine: A dipeptide nanotube with confined water (2004)
Pan, Y. S., Birkedal, H., Pattison, P., Brown, D., Chapuis, G.
To investigate the mechanism of structural changes of a peptide nanotube and water confined inside the channel, the helical peptide tryptophylglycine monohydrate (WG-H2O) was studied by molecular...
Direct evidence for a furtive state in the degradation of carbasalatum calcicum (2004)
Ochsenbein, P., Bonin, M., Masson, O., Loyaux, D., Chapuis, G., Schenk, K. J.
The study of incommensurate structures as a probe to reveal atomic interactions in crystals (2004)
The structure of aperiodic crystals which includes incommensurate, quasi- and composite crystals is usually described in spaces of higher dimension, the so called superspace. The main advantage of...
On the symmetry of optically isotropic modulated lazurites from the Baikal region (2004)
Bolotina, N. B., Rastsvetaeva, R. K., Chapuis, G., Schonleber, A., Sapozhnikov, A. N., Kashaev, A. A.
The incommensurately modulated twinned crystal structure of lazurite from the Baikal region is presented for the first time. The orthorhombic structure was solved in a pseudo cubic unit cell, a(cub)...
The modulated structure of Ba0.39Sr0.61Nb2O6. I. Harmonic solution (2003)
Woike, T., Petricek, V., Dusek, M., Hansen, N. K., Fertey, P., Lecomte, C., ...
The structure of a crystal of Sr0.61Ba0.39Nb2O6 has been solved and refined as an incommensurate structure in five-dimensional superspace. The structure is tetragonal, superspace group P4bm(pp1/2;...
Schönleber, A., Pattison, P., Chapuis, G.
The room temperature structure (a-form) of the organic compound p-chlorobenzamide, C7H6ClNO, can be described as a classical three-dimensional periodic superstructure (alpha(s)) and also as a...
Pinheiro, C. B., Gardon, M., Chapuis, G.
HMT-C11 belongs to the family of adducts formed by the cocrystallization of N-4(CH2)(6) molecules ( hexamethylenetetramine or HMT) and aliphatic dicarboxylic acids HOOC(CH2)(n-2)COOH with 5 less than...
Molecular dynamics simulation of hexamine and suberic acid (2003)
Pan, Y. S., Brown, D., Chapuis, G.
In order to perform a molecular dynamics (MD) simulation of the incommensurate crystalline structure hexamethylenetetramine suberate (C6H12N4)(HOOC-(CH2)(6)-COOH), we present in a first step the...
Gardon, M., Pinheiro, C. B., Chapuis, G.
The thermotropic phase diagram of 1:1 co-crystals of hexamethylenetetramine and pimelic acid (heptanedioic acid) is investigated. Three crystalline phases are identified at ambient pressure. Phase I...
Urotropin azelate: a rather unwilling co-crystal (2003)
Bonin, M., Welberry, T. R., Hostettler, M., Gardon, M., Birkedal, H., Chapuis, G., ...
Urotropin (U) and azelaic acid (AA) form 1:1 co-crystals (UA) that give rise to a rather complex diffraction pattern, the main features of which are diffuse rods and bands in addition to the Bragg...
Bolotina, N. B., Rastsvetaeva, R. K., Sapozhnikov, A. N., Kashaev, A. A., Schoenleber, A., Chapuis, G.
The three-dimensionally modulated incommensurate crystal structure of lazurite from the Baikal region was determined for the first time. The structure was solved within the cubic system with the...
Beraldo, H., Barreto, A. M., Vieira, R. P., Rebolledo, A. P., Speziali, N. L., Pinheiro, C. B., ...
4-benzoylpyridine thiosemicarbazone (H(4)Bz(4)DH) and N(4')-phenyl-4-benzoylpyridine thiosemicarbazone (H4Bz4Ph) were obtained and fully characterized by infrared, UV and NMR spectroscopies. The...
The incommensurate structure of K3In(PO4)(2) (2003)
Arakcheeva, A., Chapuis, G., Petricek, V., Dusek, M., Schönleber, A.
The incommensurately modulated structure of K3In(PO4)(2) has been solved and refined. The origin of the modulation relates to the ordering of K cations within the hexagonal close packing of the PO4...
The commensurate composite sigma-structure of beta-tantalum (2003)
Arakcheeva, A., Chapuis, G., Birkedal, H., Pattison, P., Grinevitch, V.
The single-crystal investigation of the self-hosting sigma-structure of beta-tantalum (beta-Ta) at 120 K (low-temperature, LT, structure) and at 293 K (RT-I before cooling and RT-II after cooling and...
Riedo, B., Hostettler, M., Schwarzenbach, D., Chapuis, G., Dietler, G.
Crystals of hexamethylenetetramine (HMT) with aliphatic dicarboxylic acids in 1:1 molar ratio exhibit different behaviour depending on the number n of carbons in the aliphatic chain. For n=8 and 10,...
Average structure of cubic lazurite with a three-dimensional incommensurate modulation (2002)
Rastsvetaeva, R. K., Bolotina, N. B., Sapozhnikov, A. N., Kashaev, A. A., Schoenleber, A., Chapuis, G.
Three-dimensional incommensurately modulated cubic lazurite from the Malo-Bystrinskoe deposit (the Baikal region) was studied by the methods of X-ray diffraction analysis. The a parameter of the...
Structure studies of solid solutions of oxygen in electrolytic niobium (2002)
Arakcheeva, A. V., Grinevich, V. V., Chapuis, G., Shamrai, V. F.
The self-hosting structure of beta-Ta (2002)
Arakcheeva, A., Chapuis, G., Grinevitch, V.
Using electrodeposition from a bath of molten fluorides, single crystals of tetragonal beta-tantalum have been obtained for the first time at normal pressure. The unit-cell parameters are a = 10.211...
Schonleber, A., Meyer, M., Chapuis, G.
NADA is a computer program for the simultaneous refinement of the components of the orientation matrix and the components of up to three modulation vectors by the method of least squares. Using the...
The lock-in phase in the urotropine-sebacic acid system (2001)
Gardon, M., Schonleber, A., Chapuis, G., Hostettler, M., Bonin, M.
The 1,10-decanedioic acid-1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane (1/1) system, C10H18O4.C6H12N4, was studied at 215 (2) K. Its analysis provides important information with regard to the...
The modulated and composite model descriptions of La2Co1.7 (2001)
Dusek, M., Chapuis, G., Schobinger-Papamantellos, P., Wilkinson, C., Petricek, V.
Crystallography of modulated structures in superspace (2001)
Since the discovery of X-ray diffraction, it was believed that the discrete distribution of diffracted intensities was a direct consequence of the periodic arrangement of atoms in the three...
Bindi, L., Bonazzi, P., Dusek, M., Petricek, V., Chapuis, G.
The structure of a crystal of natural melilite from San Venanzo, Umbria (Italy) of the general formula X(2)T1(T2)(2)O-7, where X = Ca0.945Sr0.005Na0.04K0.01, T1 = Mg0.92Al0.08 and T2 = Si0.99Al0.01,...
The LT phase of Cs3Bi2I9 (2001)
Arakcheeva, A. V., Chapuis, G., Meyer, M.
The low temperature (LT) modification of Cs3Bi2I9 has been refined to R(F) = 0.055 on the basis of X-ray diffraction measurements at T = 130 K from a twin crystal with six fractions connected by...
Arakcheeva, A., Chapuis, G., Grinevitch, V., Shamray, V.
A new cubic Ta-bronze (1) KTa1+z+(5-delta)O3 [z similar or equal to 0.107 (3)] was obtained on a cathode by molten salt electrolysis of the system K2TaOF5-K3TaO2F4-(KF + NaF + LiF)(cutectic). Black,...
Modulated structure of La2Co1.7 from neutron and X-ray diffraction data (2000)
Dusek, M., Chapuis, G., Schobinger-Papamantellos, P., Wilkinson, C., Petricek, V., Tung, L.D., ...
Analysis of LiKSO4 crystals in the temperature range from 573 to 943 K (2000)
Pinheiro, C. B., Pimenta, M. A., Chapuis, G., Speziali, N. L.
The structural phases observed in LiKSO4 crystals due to thermotropic transitions have been studied for more than a century. Nowadays many different phases are referenced, but some of the results are...
Onoda, M., Wada, H., Pattison, P., Yamamoto, A., Ishii, M., Chapuis, G.
The ternary sulfide Ag7TaS6 displays high Ag-ion conductivity at ambient temperature, and the framework TaS6 and Ag ions can be respectively regarded as the host structure and guest ions. Two...
Modulated structure of La2Co1.7 from neutron and X-ray diffraction data (2000)
Dusek, M., Chapuis, G., Schobinger-Papamantellos, P., Wilkinson, C., Petricek, V., Tung, L. D., ...
An La2Co1.7 crystal was investigated by single-crystal neutron and X-ray diffraction. The neutron measurement was performed with a Laue white-beam technique at 15 K and room temperature, using a...
Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate (2000)
Benmerad, B., Guehria-Laidoudi, A., Balegroune, F., Birkedal, H., Chapuis, G.
The structure of the title compound, [La(C5H6O4)(C5H7O4)(H2O)] . H2O, consists of dense layers formed by chains of one-edge-sharing LaO9 (H2O) polyhedra, linked together by the glutarate ligand. The...
Arakcheeva, A. V., Vinogradova, S. A., Pushcharovskii, D. Y., Hostettler, M., Chapuis, G., Dimitrova, O. V.
The crystal structure of the new synthetic compound Ba-5[B20O33(OH)(4)] . H2O was established by the methods of X-ray diffraction (a Stoe IPDS diffractometer, lambda MoKalpha, 1860 independent...
Rastsvetaeva, R. K., Khomyakov, A. P., Chapuis, G.
The trigonal structure of a new member of the eudialyte group was established from X-ray single-crystal diffraction, lambda(MoKalpha) = 0.71073 Angstrom; space group R3m; a = 14.153(9) Angstrom, c =...
The phonon dispersion curves of cubic acetylene, tetragonal urea, and monoclinic sodium carbonate are calculated from the generic force field using the direct method. The force constants of the...
Paciorek, W. A., Meyer, M., Chapuis, G.
A simple algorithm is proposed for quantifying and correcting geometric distortions introduced by fiberoptic tapers in an X-ray charge-coupled-device detector with direct taper coupling. [References:...
On the geometry of a modern imaging diffractometer (1999)
Paciorek, W. A., Meyer, M., Chapuis, G.
The geometry of a modern imaging diffractometer is discussed in detail. A method to find all relevant instrument parameters from the control single-crystal measurement data is proposed and the...
Superspace-group approach to the phase transition of Cu8GeSe6 (1999)
Onoda, M., Ishii, M., Pattison, P., Shibata, K., Yamamoto, A., Chapuis, G.
The high- and low-temperature forms, i.e., phase I (stable above 328 K) and phase II (stable below 328 K), of Cu8GeSe6 have been investigated by the powder X-ray diffraction method. Cu8GeSe6 II is...
Hostettler, M., Birkedal, H., Gardon, M., Chapuis, G., Schwarzenbach, D., Bonin, M.
The title compound, C6H12N4. C9H16O4, undergoes several thermotropic phase transitions. The crystalline structure is layered, with sheets of azelaic acid linked to sheets of hexamethylenetetramine by...
Interactive Web-based tools for an introductory course in crystallography (1999)
The new possibilities offered by the Java programming environment combined with the accessibility of the World Wide Web present new and interesting perspectives. It is thus now possible to perform...
X-ray study of phase transitions in CS3Sb2I9 crystal (1999)
Bagautdinov, B. S., Novikova, M. S., Aleksandrova, I. P., Blomberg, M. K., Chapuis, G.
An X-ray study of three phase transitions (PTs) at 86, 78 and 72 K has been carried out for the trigonal modification of the Cs3Sb2I9 crystal (space group P-3m1, a = 8.460 Angstrom, c = 10.398...
Arakcheeva, A. V., Grinevich, V. V., Shamrai, V. F., Meyer, M., Chapuis, G.
The structures of the KNb4O5F (I) (synthesized for the first time) and the NbO2 (II) phases formed together with NbO during decomposition of reduced oxofluoroniobate K2-xNb4O3(O,F)(3)F (III) in the...
The phases of CS3Bi2I9 between RT and 190 K (1999)
Arakcheeva, A. V., Bonin, M., Chapuis, G., Zaitsev, A. I.
The structure of Cs3Bi2I9 has been refined to R = 0.0165 on the basis of X-ray diffraction measurements at T = 290 K (STOE IPDS diffractometer; MoKalpha-radiation; 296 nonequivalent reflection with I...
Gaillard, V. B., Chapuis, G., Dusek, M., Petricek, V.
The organic salt hexamethylenetetramine sebacate presents a 1D modulation with strong satellite reflections. Single-crystal X-ray intensities of main reflections and satellites up to sixth order have...
Bonny, V., Bonin, M., Sciau, P., Schenk, K. J., Chapuis, G.
Diffraction above room temperature, on powders and crystals of Pb(Fe0.5Nb0.5)O-3, using X-rays and synchrotron radiation, led to a novel and consistent picture of the symmetry of the phases in this...
Molecular Geometry of Incommensurate Structures (1996)
Paciorek, W., Gaillard, V. B., Schenk, K., Chapuis, G.
Molecular-geometry calculations in the superspace framework of incommensurate structure analysis are presented in detail. In particular, a method is described for attaching atoms to groups of others...
Hexamethylenetetramine Suberate, a Strongly Anharmonic Modulated Structure (1996)
Bussien-Gaillard, V., Paciorek, W., Schenk, K., Chapuis, G.
Hexamethylenetetramine suberate is an organic compound presenting a one-dimensional modulation with strong satellite reflections between 123 and 300 K. Single-crystal X-ray intensities of main...
Hydrazone Derivatives, an Efficient Class of Crystalline Materials For Nonlinear Optics (1995)
Serbutoviez, C., Bosshard, C., Knopfle, G., Wyss, P., Pretre, P., Gunter, P., ...
We report on the synthesis and optical characterization of hydrazone derivatives developed for second-order nonlinear optics. Electric-field-induced second harmonic generation (EFISH) as well as...
X-Ray Study of and Structural Approach to the Incommensurate Perovskite Pb2CoWO6 (1995)
Bonin, M., Paciorek, W., Schenk, K. J., Chapuis, G.
Pb2CoWO6 in its incommensurate phase (230 less than or equal to T less than or equal to 300 K) invariably exhibits orientational domains. Such a polydomain state has been investigated by means of...
Phase-Transition Mechanisms Between Hexagonal Commensurate and Incommensurate Structures (1994)
A hexagonal two-dimensional model of particles with displacive degrees of freedom and interacting via potential energy with harmonic and anharmonic third- and fourth-order terms has been studied by...
Generalized Bessel Functions in Incommensurate Structure Analysis (1994)
The analysis of incommensurate structures is computationally more difficult than that of normal ones. This is mainly a result of the structure-factor expression, which involves numerical integrations...
Meyer, M., Paciorek, W. A., Schenk, K. J., Chapuis, G., Depmeier, W.
The incommensurate structure of gamma-bis(n-propyl-ammonium) tetrachloromanganate(II) (gamma-PAMC) at 365 K has been determined in the superspace group Abma(alpha01)000. Main reflections and...
Araki, S., Vogel, P., Blanc, E., Chapuis, G., Schenk, K.
The reactions of [Fe2(CO)9] with 2-exo,3-exo-bis(chloromethyl)-5,6-di(methylidene)-7-oxabicyclo[2.2.1]hep tane (5) and with 5,6-di(methylidene)-7-oxabicyclo[2.2.1]heptane-2-exo,3-exo-dimethyl...
A vibrational and Structural Study of the Solid-Solid phase Transition in C10H21NH3Cl (1989)
Schenk, K. J., Ogle, C. A., Chapuis, G., Cavagnat, R., Jokic, A., ...
2-Cyclooctylamino-5-nitropyridine, a new nonlinear optical crystal with orthorhombic symmetry (1988)
Günter, P., Bosshard, Ch., Sutter, K., Medrano, C., Chapuis, G., Twieg, R. J., ...
2-Cyclooctylamino-5-nitropyridine, a new nonlinear optical crystal with orthorhombic symmetry (1987)
Günter, P., Bosshard, Ch., Sutter, K., Medrano, C., Chapuis, G.
2-cyclooctylamino-5-nitropyridine, a new nonlinear optical crystal with orthorhombic symmetry (1987)
Günter, P., Bosshard, Ch., Sutter, K., Arend, H., Twieg, R. J., Dobrowolski, D., ...
Chapuis, G., Seliger, J., Zagar, V., Blinc, R., Kind, R., Arend, H., ...
A New Labile Bromoterpenoid from the Red Alga Laurencia Majuscula: Dehydrochloroprepacifenol (1987)
Caccamese, S., Compagnini, A., Toscano, R. M., Nicolò, F., Chapuis, G.
Gyrotropic Phase Transition in the Layer Crystal (C5H11NH3)2ZnCl4 at 249K (1984)
Chapuis, G., Gomez Cuevas, A., Perez Mato, J. M., Tello, M. J., Madariaga, G., Fernandez, J., ...
Gyrotropic Phase Transition in (C5H11NH3)2ZnCl4 at 249K (1983)
Gomez Cuevas, A., Perez Mato, J. M., Tello, M. J., Madariaga, G., Fernandez, J., Lopez Echarri, A., ...
Phase transition from an intercalated to a nonintercalated structure in a lipid bilayer (1982)
Kind, R., Blinc, R., Arend, H., Muralt, P., Slak, J., Chapuis, G., ...
(CH3)4NHgBrI2 - A new polar organic-inorganic double halide (1982)
Arend, H., Ehrensperger, M., Muralt, P., Chapuis, G., Zuniga, F. J.
(Ch3)4nhgbri2 - a New Polar Organic-Inorganic Double Halide (1982)
Arend, H., Ehrensperger, M., Muralt, P., Chapuis, G., Zuniga, J. F.
Phase-Transition from an Intercalated to a Non-Intercalated Structure in a Lipid Bilayer (1982)
Kind, R., Blinc, R., Arend, H., Muralt, P., Slak, J., Chapuis, G., ...
C NMR Study of the "Bilayer" Phase Transitions in (C10H21NH3)2CuCl4 (1981)
Kozelj, M., Rutar, V., Zupancic, I., Blinc, R., Arend, H., Kind, R., ...
Crystal and molecular structure of the 4:3 complex of 10-crown-6 ether with neodymium nitrate (1981)
Bünzli, J. C., Klein, B., Wessner, D., Schenk, K., Chapuis, G., Bombieri, G., ...
Iron Carbonyl Complexes of 2,3,5,6-Tetrakis (Methylene)-7-oxabicyclo(2.2.1)heptane (1980)
Meier, E., Cherpillod, O., Boschi, T., Roulet, R., Vogel, P., Mahaim, C., ...
Blinc, R., Kozelj, M., Rutar, V., Zupancic, I., Zeks, B., Arend, H., ...
Kind, R., Plesko, S., Arend, H., Blinc, R., Zeks, B., Seliger, J., ...
Phase Transitions in a Lipid Bilayer Embedded in a Crystalline Matrix (1979)
Blinc, R., Burgar, M. I., Rutar, V., Zeks, B., Kind, R., Arend, H., ...
FORECASTING FRENCH POSTAL FINANCIAL SERVICES IN FRANCE - I THE NATIONAL MODDEL.
CHAPUIS, G., NICOLAS, E., RENAUDON, P., VILLA, P.
forecasts ; economic forecasts ; projections ; postal services ; telecommunications ; economic theory
FORECASTING FRENCH POSTAL FINANCIAL SERVICES IN FRANCE - I THE NATIONAL MODDEL.
CHAPUIS, G., NICOLAS, E., RENAUDON, P., VILLA, P.
forecasts ; economic forecasts ; projections ; postal services ; telecommunications ; economic theory