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X-ray diffraction
Items for "X-ray diffraction"
The structure of O-phospho-DL-threonine in potassium, sodium and ammonium environments
Interactions of O-phospho-DL-threonine (DL-PThr) in the different ionization states with potassium, sodium and ammonium cations have been studied on five crystals (denoted as I-V)...
Keywords: O-phospho-DL-threonine, Potassium salts, Sodium salts, Ammonium salts, X-ray diffraction
02/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagTwo isostructural manganese (III) diphosphates, acid α-MnHP2O7 and double MnLiP2O7: crystal structure determination from X-ray powder diffraction data
Ab initio crystal structure determination of the α form of MnHP2O7 and Rietveld refinement of the MnLiP2O7 structure were performed using powder X-ray diffraction data...
Keywords: Diphosphates, Powder diffraction structure analysis, X-ray diffraction
02/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSynthesis, crystal structure and theoretical studies of aryltellurenyl tetramethylthiourea(tmtu) iodine complexes: Ph-Te(tmtu)I (1) and β-naphtyl-Te(tmtu)I (2)
(1) C11H17IN2STe, Mr = 463.83, P21/n, a = 7.6582(8), b = 13.8008(9), c = 15.026(3) Å, β = 96.233(12)°, Z = 4, R1 = 0.0318...
Keywords: Tellurium(II), Tetramethylthiourea, Supramolecular, X-ray diffraction, Single crystal structure analysis
02/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagStructure, phase transitions and dielectric properties of a new inclusion compound of bis-thiourea pyridinium nitrate salt
A structure of a new inclusion compound of bis-thiourea pyridinium nitrate salt C5H6N+NO3- 2[CH4N2S] was determined by single-crystal X-ray diffraction method at 293 K, 250 K and 150 K...
Keywords: Inclusion compounds, Phase transitions, Bis-thiourea pyridinium nitrate salt, Single crystal structure analysis, X-ray diffraction
03/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal structure of new lanthanide diphosphates KLnP2O7 · 2 H2O (Ln = Gd, Tb, Yb)
Crystals of lanthanide diphosphates KLnP2O7 · 2 H2O [Ln = Gd, Tb, Yb] have been synthesized and investigated by single-crystal X-ray diffractometry...
Keywords: Lanthanide diphosphates, Hydrogen bond, X-ray diffraction, Single crystal structure analysis
03/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSelf-association and stereochemistry study of (5R)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one
C10H12N2O2, Mr = 191.21, P21, a = 5.5771(7), b = 27.841(3), c = 6.906(1) Å, β = 111.937(9)°, Z = 4, R1 = 0.0462...
Keywords: Infrared spectroscopy, 13C NMR spectroscopy, Oxadiazinone, Single crystal structure analysis, X-ray diffraction
03/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal and molecular structures of sodium and barium complexes of dibenzo-24-crown-8 ether
The sodium and barium isothiocyanate complexes of 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydro-dibenzo[b,n]-1,4,7,10,13,16,19,22-octaoxacyclotetracosin (dibenzo-24-crown-8 ether=DB24C8) were synthesized and analyzed by X-ray diffraction.
The sodium complex, [Na(DB24C8)(NCS)(H2O)] 1, crystallizes in the orthorhombic space group Fdd2 with 16 molecules in the unit cell...
Keywords: Dibenzo-24-crown-8 ether, Na, Ba complexes, Single crystal structure analysis, X-ray diffraction
03/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal structure of Cu1.78Bi4.73Se8, an N = 3 pavonite homologue with a Cu-for-Bi substitution
Cu1.78Bi4.73Se8, synthesized in a dry phase system Cu—Bi—Se at 450 °C, is monoclinic, a = 13.759 Å, b = 4.168 Å, c = 14.683 Å, γ = 115.61°, space group C2/m...
Keywords: Copper-bismuth selenide, Pavonite homologous series, Cu-for-Bi substitution, Single crystal structure analysis, X-ray diffraction
02/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe structure of the red-brown form of [Fe2(η5-C5H4Me)2(CO)(CN)(μ-CO)(μ-CNMe2)] and its confirmation as a cis isomer
The crystal and molecular structure of the red brown form of [Fe2(η5-C5H4Me)2(CO)(CN)(μ-CO) · (μ-CNMe2)] has been determined by X-ray crystallography...
Keywords: Iron complex, Cyanide ligand, mu-Dimethyliminium ligand, Single crystal structure analysis, X-ray diffraction
04/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal structure of natural 33R moissanite from Tibet
The crystal structure of the natural 33R moissanite, recovered as inclusions in chromitites from Luobusa harzburgite in Tibet, was determined from X-ray diffraction data collection by a Nonius CAD-4 four-circle diffractometer...
Keywords: Moissanite, Polytype, Si-C double layer, Single crystal structure analysis, X-ray diffraction
03/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal structure of silver salicylate C7H5AgO3 solved by reverse Monte-Carlo method from X-ray powder diffraction data and confirmed on single crystal
The crystal structure of silver salicylate C7H5AgO3 has been solved originally on powder sample by molecular modeling and reverse Monte-Carlo (RMC) algorithm and then confirmed by X-ray diffraction single crystal structure solution and refinement...
Keywords: Salicylate, Reverse Monte-Carlo algorithm, Powder diffraction analysis, X-ray diffraction
04/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagComplexity of hexagonal approximants in the RE13Zn~58 system (RE = Ce, Pr, Nd, Sm, Gd, Tb and Dy)
For the RE13Zn58 quasi crystal approximants (RE = Ce, Pr, Nd, Sm, Gd, Tb, Dy), single crystals were prepared from the elements and their structures were refined from single-crystal X-ray diffraction data...
Keywords: Approximant, Superstructure, Order-disorder, Single crystal structure analysis, X-ray diffraction
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagUranyl oxalate hydrates: structures and IR spectra
The novel compound (UO2)2C2O4(OH)2(H2O)2 (UrOx2A) and the previously studied compound UO2C2O4(H2O)3 (UrOx3) have been synthesized by mild hydrothermal methods...
Keywords: Uranyl oxalate, Hydrothermal synthesis, Infrared spectroscopy, Single crystal structure analysis, X-ray diffraction
04/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSynthesis, crystal structure and magnetic behaviourof a mononuclear Fe(III) – Schiff base metal complex
A complex from Fe(II) and a hexa-dentate linear ligand containing O2N4 donor atoms were prepared and the structure enlightened with X-ray diffraction...
Keywords: Fe(III) metal complex, Schiff bases, X-ray diffraction, Crystal structure analysis
04/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagOn the formation and crystal structure of the Pd6B phase
The crystal structure of the Pd6B phase has been elucidated employing selected-area electron diffraction and X-ray and neutron powder diffraction methods...
Keywords: X-ray diffraction, Electron diffraction, Neutron diffraction, Palladium-boron alloys, Order-disorder transformations
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal structure of ZSM-10, a powder X-ray and electron diffraction study
The crystal structure of the aluminosilicate, ZSM-10 (T108O216, where T = Si, Al), has been determined from electron diffraction and powder X-ray diffraction data...
Keywords: Zeolite structure, Rietveld refinement, Electron crystallography, X-ray diffraction, Powder diffraction structure analysis
04/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSynthesis and characterization of Na2Ba4Ga2Sb6 and Li13Ba8GaSb12
The title compounds were synthesized from the elements by heating the corresponding stoichiometric mixtures at high temperature...
Keywords: Intermetallics, Zintl phases, Thermoelectric materials, Single crystal structure analysis, X-ray diffraction
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagGeometric variations and electron localizations in intermetallics: PbFCl type compounds
The structural relations of the intermetallic compounds Cu2Sb, Mn2Sb, Fe2As, Mn2As, Cr2As, Sc2Sb as well as of YTiSi and ZrSiS, all adopting the PbFCl structure, are discussed...
Keywords: Transition metal arsenides, Transition metal antimonides, X-ray diffraction, Single crystal structure analysis, Electron localization function
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagAtomic ordering in the Laves phases L1 V(Co1–xSix)2 (x = 0.43 and 0.56)
The synthesis, phase relations, and crystal structures of two truly ternary, partially ordered Laves phases occurring in the V—Co—Si system are reported...
Keywords: Silicides, Laves phases, Superstructure, Single crystal structure analysis, X-ray diffraction
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagGe40.0Te5.3I8: synthesis, crystal structure, and properties of a new clathrate-I compound
A new clathrate phase with the composition Ge40.0Te5.3I8 has been prepared and its structure determined from single crystal X-ray data...
Keywords: Clathrates, Zintl phases, X-ray diffraction, Electron microscopy, Local ordering
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagTin flux synthesis of rare-earth metal silicide compounds RESi1.7 (RE = Dy, Ho): a novel ordered structure derived from the AlB2 type
The binary rare-earth metal silicides RESi1.7 (RE = Dy, Ho) were prepared by tin flux synthesis between 800–1000 °C...
Keywords: Rare-earth silicide, Metal flux synthesis, Electrochemistry, Single crystal structure analysis, X-ray diffraction
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagStructure refinements of iron borides Fe2B and FeB
Crystals of the iron borides FeB and Fe2B were obtained from two different high temperature synthesis routes, viz. in combined copper/gallium flux and under high pressure conditions...
Keywords: Iron boride, Metal flux, High pressure, Single crystal structure analysis, X-ray diffraction
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagLow- and high-temperature structures of YbCuBi
A variable temperature single-crystal X-ray diffraction study was undertaken on the intermetallic compound YbCuBi, which undergoes a phase transition at ∼375 K...
Keywords: Phase transition, Bismuth, Intermetallics, Single crystal structure analysis, X-ray diffraction
05/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagNew isostructural ethylenediammonium diphosphates (NH3(CH2)2NH3)2[Me(HP2O7)2 · 2 H2O] [Me = Co, Ni]: X-ray crystal structure and vibrational s
New ethylenediammonium diphosphates (NH3(CH2)2NH3)2[Me(HP2O7)2 · 2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry...
Keywords: Diphosphate, Ethylenediammonium, Raman and infrared spectroscopy, X-ray diffraction, Single crystal structure analysis
09/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagDisorder in alkali lead fluorides Na2–xKxPb11F18X6 with X = Cl, Br
The crystal structures of five new alkali-lead halide compounds of the family M′2–xM″xPb11F18X6 with M′, M″ = Na, K, Na/K mixed and X = Cl, Br were studied...
Keywords: Positional and occupation disorder, Lead halides, Aurivillius phase, Single crystal structure analysis, X-ray diffraction
08/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSyntheses, spectroscopic and X-ray structure analyses of two dioxouranium (VI) complexes: supramolecular framework built from O—H…O, C—H…O and stacking interactions
Two dioxouranium(VI) complexes, [UO2(PBHA)2(DMSO)] (I) and [UO2(SALOP)(H2O)] (II), PBHA = N-phenyl benzohydroxamate, DMSO = dimethyl sulfoxide, SALOP = N,N′-bis (salicylidene)-o-phenylene diaminate have been synthesized, and characterized by spectroscopic and X-ray studies...
Keywords: Dioxouranium (VI) complex, Supramolecular framework, Single crystal structure analysis, X-ray diffraction
08/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal structure of M(IO3)2 metal iodates, twinned bypseudo-merohedry, with MII: MgII, MnII, CoII, NiII and ZnII
The non-centrosymmetric materials Zn(IO3)2, Mn(IO3)2, Co(IO3)2, Mg(IO3)2 and β-Ni(IO3)2 have been synthesised by evaporation of nitric acid solutions of metal salts and lithium iodate...
Keywords: Twinning by pseudo-merohedry, Iodate, NLO materials, X-ray diffraction, Single crystal structure analysis
09/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagStructural and Magnetic Properties of [Mn3(C2H3O2)6(H2O)4]· 2(C2H5NO2)· 2(H2O)
Hexa-acetate-tetra-aqua-trimanganese diglycine dihydrated retains the two-dimensional character of commercial manganese diacetate tetrahydrate...
Keywords: Manganese Clusters, Ferrimagnetism, Manganese Acetate, X-ray diffraction
07/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg WissenschaftsverlagExperimental charge density of an L-phenylalanine formic acid complex with a short hydrogen bond determined at 25 K
The experimental charge density and related atomic and bond topological properties of an L-phenylalanine formic acid complex were derived from a high resolution X-ray data set (sin θ/λ = 1.18 Å–1/d = 0.42 Å) measured at 25 K...
Keywords: Charge density, Amino acids, Short hydrogen bond, Single crystal structure analysis, X-ray diffraction
09/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal structures of polymorphic SUZ-4
SUZ-4 is an aluminosilicate zeolite originally synthesized at British Petroleum and known to be related somehow to ferrierite...
Keywords: Zeolite, Powder diffraction structure analysis, X-ray diffraction, Rietveld refinement, Electron diffraction
10/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagA crystallographic and spectroscopic study on the imine-amine tautomerism of 2-hydroxyaldimine compounds
The molecular structures of N-(2-hydroxy ethyl)-3,5-dinitrosalicylaldimine and N-N′-bis(acetophe-nylketimine)-1,4-diaminobuthane were determined using X-ray diffraction...
Keywords: Imine-amine tautomerism, X-ray diffraction, Schiff bases, 2-Hydroxyaldimine, FTIR
10/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal and molecular structure of a new trinuclear copper(II)complex: Cu3L2(NCS)2·2.5(C4H8O2), L = bis-N,N′(salicylidene)1,3-propanediamine dianion
A trinuclear Schiff base complex was synthesized from N,N′-bis(salicylidene)-1,3-propanediamine and Cu(II) ions in the presence of thiocyanate ions in dioxane media...
Keywords: Nonlinear Cu(II) complex, Thiocyanate, TGA-DTA thermogram, X-ray diffraction, Single crystal structure analysis
11/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSynthesis, spectroscopic and X-ray structure analyses of two N-[(3′-aryl) prop-2′-ynyl]-N,N′-1,2-phenylene di-p-tosylamides
Two N-substituted phenylene diamines C27H24N2S3O4 (I) and C29H25N2S2O4Cl (II), acyclic precursors leading to quinoxaline derivatives, have been synthesized, and characterized by spectroscopic and X-ray structural studies...
Keywords: Substituted phenylene diamines, IR and UV-Vis spectra, X-ray diffraction, Single crystal structure analysis, Hydrogen Bonding
11/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal structures of the new isotypic compounds Rb4(M2+)(Fe3+)8[SeO3]14[SeO2(OH)]2 · 2 H2O (M = Mg, Cu) with a short review on iron(III) selenites
Single crystals of the new compounds Rb4(M2+)(Fe3+)8[SeO3]14[SeO2(OH)]2 · 2 H2O (M = Mg, Cu) have been synthesized in Teflon-lined steel vessels at 495 K...
Keywords: Iron(III) selenites, Crystal chemistry, Single crystal structure analysis, X-ray diffraction
11/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSynthesis and crystal structure of Sr(AsO3OH) and Ba(AsO3OH): crystal chemistry of related MHXO4 (X = As, P, S) compounds
Crystals of M(AsO3OH) (M = Sr and Ba) were synthesized under hydrothermal conditions; single-crystal X-ray structure investigations were performed...
Keywords: MHXO4 compounds, Hydrothermal synthesis, Hydrogen bond, Single crystal structure analysis, X-ray diffraction
12/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagPigment Orange 5: crystal structure determination from a non-indexed X-ray powder diagram
Pigment Orange 5, also known as “Dinitroaniline Orange”, is an industrially produced azo pigment...
Keywords: Pigments, X-ray diffraction, Rietveld refinement, Powder diffraction structure analysis, Lattice energy minimization
01/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSingle crystal X-ray structure analysis of the spin ladder compounds SrCu2O3 and Sr2Cu3O5 between 300 K and 100 K
This work presents room temperature single crystal X-ray diffraction measurements of the spin ladder compounds SrCu2O3 (Cmmm, a = 3.948(2) Å, b = 11.626(4) Å, c = 3.509(1) Å, Z = 2) and Sr2Cu3O5 (Immm, a = 3.395(2) Å, b = 3.941(1) Å, c = 18.662(5) Å, Z = 2), and the evolution of their structures from room temperature down to 100 K...
Keywords: Strontium copper oxides, Spin gap, Spin ladder, Single crystal structure analysis, X-ray diffraction
12/2006 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagUnsolvated ruthenium(II) benzene dichloride: a structural comparison with the chloroform solvate
The crystal structure of the unsolvated ruthenium(II) benzene dichloride, [RuCl2(η6-C6H6)]2, has been determined by X-ray crystallography...
Keywords: Ruthenium(II) benzene dichloride, Single crystal structure analysis, X-ray diffraction, Solvent inclusion effect
01/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal structures of high-pressure phases in the alumina-water system: I. Single crystal X-ray diffraction and molecular dynamics simulation of η-Al(OH)3
The high-pressure phase of gibbsite has been studied by in situ single crystal X-ray diffraction method and molecular dynamics (MD) simulation at 3.0 GPa...
Keywords: Gibbsite, High pressure, Phase transition, Single crystal structure analysis, X-ray diffraction
01/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagSymmetry reduction and cation ordering in alum solid solutions
Kinetic ordering of cations in solid solutions of alums showing anomalous birefringence was studied by means of single crystal X-ray diffraction...
Keywords: Kinetic ordering of atoms, Alum, Anomalous birefringence, Single crystal structure analysis, X-ray diffraction
02/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagTwo N-[(3´-4-aryl)prop-2´-ynyl]-N,N´-1,2-phenylenedi-p-tosylamides:synthesis, spectroscopic and X-ray structural studies
Two N-substituted phenylene diamines, C30H28N2S2O4 (I) and C30H28N2S2O5 (II), have been synthesized, and characterized by spectroscopic and single crystal X-ray analyses...
Keywords: Phenylene diamines, IR and UV-Vis spectra, Intermolecular interactions, X-ray diffraction, Single crystal structure analysis
02/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagXRD and DSC study of the formation and the melting of a new zeolite like borosilicate CsBSi5O12 and (Cs,Rb)BSi5O12solid solutions
Polycrystalline CsBSi5O12 was prepared from a stoichiometric mixture by solid-state reaction above 1000 °C...
Keywords: Thermogravimetry, thermal decomposition, Pollucite, Zeolite, X-ray diffraction
02/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal structure of potassium and ammonium tetraperoxovanadates (V)
Powder diffraction measurements are fast, and sample preparation does not require time consuming manipulations what is very important for toxic, unstable or explosive samples...
Keywords: Peroxovanadates, Powder diffraction structure analysis, Rietveld refinement, X-ray diffraction
02/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagD-Secoestrone derivatives. VII. 3-Methoxy-17-keto-17-benzyl-16,17-secoestra-1,3,5(10)-trien-16-nitrile and (17S) 3-methoxy-17-hydroxy-17-benzyl-16,17-secoestra-1,3,5(10)-trien-16-nitrile
The two title compounds 3-methoxy-17-keto-17-benzyl-16,17-secoestra-1,3,5(10)-trien-16-nitrile, C26H29NO2, (I) and (17S)-3-methoxy-17-hydroxy-17-benzyl-16,17-secoestra-1,3,5(10)-trien-16-nitrile, C26H31NO2, (II), have similar conformations in the solid state...
Keywords: Estrone derivatives, Biological activity, Single crystal structure analysis, X-ray diffraction
05/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagRe-determination of the crystal structure of χ-Fe5C2 Hägg carbide
The crystal structure of χ-Fe5C2 Hägg carbide was re-determined using the simulated annealing capability of Topas Academic (Coelho, 2000)...
Keywords: Iron carbide, Haegg carbide, Powder diffraction structure analysis, X-ray diffraction, Electron diffraction
05/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagKinematical diffraction by distorted crystals – dislocation X-ray line broadening
The current state of the description and evaluation of dislocation-induced X-ray diffraction line broadening has been reviewed...
Keywords: Dislocation density, Diffraction line broadening, Real structure, Structural inhomogeneities, X-ray diffraction
03/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagHeterodinuclear Ni(II)—Sn(II) complexes from reduced ONNO type Schiff base compounds
N,N´-bis(salicylidene)-1,3-propanediamine (LH2), N,N´-bis(salicylidene)-2,2´- dimethyl-1,3-propane-diamine (LDMH2), N,N´-bis(2-hydroxyacetophenylidene)-1,3-propanediamine (LACH2), N,N´-bis(2-hydroxyacetophenone)-2,2´-dimethyl-1,3-propanediamine (LACDMH2) and N,N´-bis(salicylidene)-1,2-ethylenediamine (SalenH2) were reduced in methanolic media with the help of NaBH4...
Keywords: Dimeric nickel-tin complex, Reduced Schiff base, Thermogravimetric analysis, Single crystal structure analysis, X-ray diffraction
05/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe Samson phase, β-Mg2Al3, revisited
Co-Authors: Michael Feuerbacher, Carsten Thomas, Julien P. A. Makongo, Stefan Hoffmann, Wilder Carrillo-Cabrera, Raul Cardoso, Yuri Grin, Guido Kreiner, Jean-Marc Joubert, Thomas Schenk, Joseph Gastaldi, Henri Nguyen-Thi, Nathalie Mangelinck-Noel, Bernard Billia, Patricia Donnadieu, Aleksandra Czyrska-Filemonowicz, Anna Zielinska-Lipiec, Beata Dubiel, Thomas Weber, Philippe Schaub, Günter Krauss, Volker Gramlich, Jeppe Christensen, Sven Lidin, Daniel Fredrickson, Marek Mihalkovic, Wieslawa Sikora, Janusz Malinowski, Stefan Brühne, Thomas Proffen, Wolf Assmus, Marc de Boissieu, Francoise Bley, Jean-Luis Chemin, Jürgen Schreuer
Abstract. The Al—Mg phase diagram has been reinvestigated in the vicinity of the stability range of the Samson phase, β-Mg2Al3 (cF1168)...
Keywords: Magnesium aluminides, Samson phase, Powder diffraction structure analysis, X-ray diffraction, Electron microscopy
06/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe synthesis, structure and thermal decomposition of some Cu(II) complexes with NNN type ligands and thiocyanate anion
Three new complexes were prepared from Cu(II) thiocyanate and bis-2,6(pyrazol-1-yl) pyridine (pp), bis-2,6(3,5-dimethylpyrazol-1-yl) pyridine (dmpp) and 2-(3,5-dimethylpyrazol-1-yl)-6-(pyrazol-1-yl) pyridine (mpp)...
Keywords: Mononuclear Cu complex, Thiocyanate, Thermogravimetric analysis, Single crystal structure analysis, X-ray diffraction
05/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe conformation cis of N-acetyl-N-methyl-α, β-dehydroalanine N′-methylamide and saturated analogues
A series of three homologous amino acids derivatives: N-acetyl-N-methyl-α,β–dehydroalanine N′-methylamide (1), N-acetyl-N-methyl-L-alanine N′-methylamide (2), and N-acetyl-N-methyl-DL-alanine N′-methylamide have been synthesised...
Keywords: Dehydroamino acids, N-methylation, trans-cis Isomerisation, Single crystal structure analysis, X-ray diffraction
06/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagStructure and properties of tecto-gallosilicates II. Sodium chloride, bromide and iodide sodalites
The crystal structures of the gallosilicate so dalites Na8[GaSiO4]6Cl2, Na8[GaSiO4]6Br2 and Na8[GaSiO4]6I2 were refined from X-ray powder data in the space group P-43n: a = 894.70 pm, V = 0.7162 nm3, RWP = 0.066, RP = 0.050, RI = 0.011, a = 900.83 pm, V = 0.73102 nm3, RWP = 0.066, RP = 0.051, RI = 0.016 and a = 908.36 pm, V = 0.74951 nm3, RWP = 0.050, RP = 0.036, RI = 0.013 for 4000 data points and 14 variable positional parameters in each case for the chloride, bromide and iodide compound, respectively...
Keywords: Sodalite, Powder diffraction structure analysis, X-ray diffraction, X-ray heating experiment, Spectroscopy
06/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystalline forms and cross-sectional dimensions of cellulose microfibrils in the Florideophyceae (Rhodophyta)
Solid-state 13C nuclear magnetic resonance (NMR) and wide-angle X-ray scattering (WAXS) were used to characterise the cellulose in six species of Florideophycean algae...
Keywords: 13C NMR, cellulose, Florideophyceae, microfibrils, X-ray diffraction
12/2004 | Botanica Marina, Walter de GruyterMorphological and chemical variations between juvenile wood, mature wood, and compression wood of loblolly pine (Pinus taeda L.)
To better understand the within-tree variations between juvenile wood, mature wood, and compression wood, wood from a 35-year-old mature bent loblolly pine was separated into seven groups by different positions in the tree...
Keywords: cellulolytic enzyme lignin (CEL), compression wood, crystallilte dimension, fiber quality analysis (FQA), juvenile wood, loblolly pine (Pinus taeda), mature wood, Microfibril angle, nitrobenzene oxidation, NMR spectroscopy, ozonation, sugar analysis, X-ray diffraction
01/2006 | Holzforschung, Walter de GruyterEffect of a waterproof agent on gypsum particleboard properties
This paper describes the influence of the addition of an organosilicon waterproof agent on the properties of gypsum particleboard (GPB)...
Keywords: gypsum particleboard, organosilicon waterproof agent, pH value, SEM, waterproof property, X-ray diffraction
05/2006 | Holzforschung, Walter de GruyterDirect investigation of the structural properties of tension wood cellulose microfibrils using microbeam X-ray fibre diffraction
Single tension-wood fibres from poplar were investigated using a synchrotron radiation X-ray microbeam...
Keywords: cellulose microfibrils, gelatinous layer, microbeam, Synchrotron Radiation, tension wood, Thermal expansion, X-ray diffraction
08/2006 | Holzforschung, Walter de GruyterThe crystal structure of a new mixed valence arsenic(III,V)oxoacid H6As3+7As5+7O31
We report on a new mixed valence arsenic(III,V)oxoacid H6As3+7As5+7O31 which crystallizes in the hexagonal space group P63 (no...
Keywords: Mixed-valence arsenic, High pressure synthesis, Powder diffraction structure analysis, X-ray diffraction, Synchrotron Radiation
07/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagHigh temperature structural behaviour of Li2VOSiO4
Structural investigations at high temperature were carried out on compound Li2VOSiO4, which crystallises with a natisite-type structure...
Keywords: X-ray diffraction, Single crystal structure analysis, Thermal expansion, Natisite
07/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagProton positions in and thermal behaviour of the phase 4 CaO · 3 Al2O3 · 3 H2O and its thermal decomposition to |(OCa4)2|[Al12O24]-SOD, determined by neutron/X-ray powd
The proton positions in the phase 4 CaO · 3 Al2O3 · 3 H2O (C4A3H3) were determined by neutron diffraction exper iments at room temperature and 5 K...
Keywords: Proton positions, Neutron diffraction, X-ray diffraction, IR Spectroscopy, Cement phase
07/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagIsomorphous gallium substitution in the alumosilicate sodalite framework: synthesis and structural studies of chloride and bromide containing phases
In the Na8[T1T2O4]6Y2 sodalite system (Y = Cl, Br, T2 = Si) the aluminium bearing T1 position was successively substituted with gallium...
Keywords: Sodalite, Synthesis, Powder diffraction structure analysis, X-ray diffraction
07/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal structure of Li4[(UO2)2(W2O10)] and crystal chemistry of Li uranyl tungstates
The crystal structure of Li4[(UO2)2(W2O10)] (1) has been solved by direct methods and refined to R1 0.036...
Keywords: Uranyl tungstate, Lithium, Connectivity diagram, Single crystal structure analysis, X-ray diffraction
08/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal chemistry of RE(CO3)OH
Rare earth carbonate hydroxides, RE(CO3)OH, were hydrothermally synthesized from formic acid and the hydroxide gels of Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Y...
Keywords: Rare earth carbonate hydroxides, Hydrothermal synthesis, Single crystal structure analysis, X-ray diffraction
07/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagX-ray diffraction study of the piezoelectric properties of BiB3O6 single crystals
We have determined all eight components of the piezoelectric tensor of a monoclinic crystal, BiB3O6, by means of synchrotron X-ray diffraction technique...
Keywords: Piezoelectric effect, External electric field, X-ray diffraction, Bismuth triborate
08/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal and molecular structure analysis of 4-o-(4-methoxybenzoyl)-2-methyl-N-(2-pyridal)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide from laboratory X-ray powder data
4-o-(4-methoxybenzoyl)-2-methyl-N-(2-pyridal)-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide, C23H19N3O6S (I), a piroxicam derivative has been synthesized and characterized by X-ray powder structure analysis...
Keywords: Piroxicam derivative, Supramolecular network, Ab-initio structure analysis, X-ray diffraction, Powder diffraction structure analysis
08/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagPolymorphism of Ag3VO4
The polymorphism of Ag3VO4 was investigated with temperature dependent synchrotron powder diffraction, and differential scanning calorimetry in the temperature range 295 K ≤ T ≤ 893 K...
Keywords: Ternary silver oxovanadates, Polymorphism, Powder diffraction structure analysis, X-ray diffraction
08/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal chemistry of GdScO3, DyScO3, SmScO3 and NdScO3
The crystal chemistry of GdScO3 and, for the first time, of DyScO3, SmScO3 and NdScO3 has been investigated using single crystals...
Keywords: Rare earth, Orthoscandates, Single crystal structure analysis, X-ray diffraction
09/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagA structural investigation of the four phases of 7-oxabicyclo[2.2.1]heptane
Powder synchrotron X-ray diffraction studies confirm that 7-oxabicyclo[2.2.1]heptane, (oxanorbornane), forms three solid phases on cooling and four on warming, as previously indicated by spectroscopic and DSC meas urements...
Keywords: Phase transitions, Low temperature, X-ray diffraction, Powder diffraction structure analysis, Oxanorbornane
09/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal structure of podlesnoite, BaCa2(CO3)2F2
Podlesnoite, BaCa2(CO3)2F2, a fluorocarbonate mineral recently discovered at the Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia, is orthorhombic, Cmcm, a = 12.501(8) Å, b = 5.846(3) Å, c = 9.443(5) Å, V = 690.1(7) Å3, Z = 4, Dcalc = 3.614 g/cm3...
Keywords: Podlesnoite, Carbonate, Single crystal structure analysis, X-ray diffraction
09/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagProcessing of High Density Manganese Zinc Nanoferrites by Co-Precipitation Method
Nanoparticles of spinel ferrites MnxZn1-xFe2O4 with x = 0.0 to 1.0 were prepared by co-precipitation method...
Keywords: Nanoparticles, Direct Current Resistivity, activation energy, Porosity, X-ray diffraction
07/2007 | Zeitschrift für Physikalische Chemie, Oldenbourg WissenschaftsverlagStructure and thermal decomposition of μ-1,1-azido bridged dinuclear Fe(III) complexes
Fe(III) complexes were prepared by the reaction of two different ONNO type Schiff bases N,N´-bis (salicylidene)-1,3-propanediamine (LH2) and N,N´-bis (salicylidene)-2,2´-dimethyl-1,3-propane diamine (LDMH2) in N–3 containing medium...
Keywords: Dinuclear Fe(III) complex, X-ray diffraction, Single crystal structure analysis, Magnetic Properties, Thermal analysis
09/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagNew monodiphosphate Li9Cr3(P2O7)3(PO4)2: X-ray crystal structure and vibrational spectroscopy
The new monodiphosphate Li9Cr3(P2O7)3(PO4)2 was synthesized and analyzed by single-crystal X-ray diffraction, infrared and Raman spectroscopy...
Keywords: Monodiphosphates, Chromium and lithium environment, Single crystal structure analysis, X-ray diffraction
10/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal-structure determination of the fluorescent bisazomethine pigment C36H26N4O4 from X-ray powder data
The compound C36H26N4O4, a derivative of Pigment Yellow 101, is one of the few organic pigments that show fluorescence in the solid state...
Keywords: Lattice energy minimisation, Fluorescence, Rietveld refinement, Powder diffraction structure analysis, X-ray diffraction
10/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagRefinement strategies for fullerene structures: use of local, non-crystallographical point group symmetry
The crystal structure of C70·Se8·CS2 was determined from single crystal X-ray diffraction data at 100 K...
Keywords: Fullerenes, Co-crystals, Refinement strategies, Single crystal structure analysis, X-ray diffraction
10/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagApplication of the apparent lattice parameter to determination of the core-shell structure of nanocrystals
In this review work we discuss applicability of Bragg scattering to examination of nanocrystals. We approximate the structure of nanograins by a commonly accepted core-shell model...
Keywords: Nanocrystals, X-ray diffraction, Neutron diffraction, Powder diffraction, Atomic structure
11/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagGrazing exit small angle X-ray scattering on grain formation in polycrystalline metal films
We recently proposed a new grazing exit geometry for measuring the small-angle scattering from thin film materials, which we call GESAXS, to contrast with the successful grazing incidence version, GISAXS...
Keywords: Grain size distribution, Metal thin films, X-ray diffraction, GESAXS, Nanostructures
11/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagDouble wollastonite chains: topological/conformational varieties, polytypic forms, isotypic compounds
Double wollastonite chains may occur in natural and synthetic compounds with various degrees of condensation, depending on the number of oxygen atoms shared between the two connected wollastonite chains: three (elpidite, epididymite), two (okenite), and one (xonotlite, clinotobermorite, tobermorite 11 Å and synthetic analogues)...
Keywords: Wollastonite chain, OD structures, Stacking disorder, Polytypism, X-ray diffraction
01/2008 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagCrystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations
(1) C13H13N3O5, Mr = 291.26, P-1, a = 7.4629(9), b = 7.9203(9), c = 12.126(2) Å, α = 86.804(5), β = 78.471(7), γ = 69.401(8)°, V = 657.3(2) Å3, Z = 2, R1 = 0.0454; (2) C11H12N2O4, Mr = 236.23, Pbca, a = 7.2713(9), b = 14.234(1), c = 20.848(3) Å, V = 2157.8(4) Å3, Z = 8, R1 = 0.0504; (3) C13H13N2O3Cl, Mr = 280.70, P2/n, a = 17.344(2), b = 9.237(1), c = 18.398(2) Å; β = 92.61(2)°, V = 2944.4(6) Å3, Z = 8, R1 = 0.0714...
Keywords: Calcium channel modulators, Dihydropyrimidinones, Single crystal structure analysis, X-ray diffraction, Semiempirical AM1
12/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagTemperature-dependent X-ray and neutron diffraction study of BiB3O6
The structure of bismuth triborate has been analyzed by the combination of neutron and X-ray diffraction on powder and on single-crystalline samples...
Keywords: Bismuth triborate, Non-linear optics, Neutron diffraction, X-ray diffraction, Single crystal structure analysis
12/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagStructural studies on a stuffed framework high pressure polymorph of CaAl2O4
The crystal structure of a high pressure polymorph of CaAl2O4 has been investigated using laboratory X-ray powder diffraction data...
Keywords: Monocalcium aluminate, High pressure phase, Polymorphism, Framework structure, X-ray diffraction
12/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagThe crystal structure of Pigment Yellow 181 from laboratory powder diffraction data
The crystal structure of the β polymorph of Pigment Yellow 181 was solved from laboratory X-ray powder diffraction data and Rietveld refined...
Keywords: Pigment Yellow 181, Powder diffraction structure analysis, X-ray diffraction
12/2007 | Zeitschrift für Kristallographie, Oldenbourg WissenschaftsverlagNew insight into the pectolite – serandite series: a single crystal diffraction study of Na(Ca1.73Mn0.27)[HSi3O9] at 293 and 100 K
Using synchrotron radiation, a single crystal investigation has been performed at 293 and 100 K for the structural characterization of the manganoan pectolite, Na(Ca1.73Mn0.27)[Si3O8(OH)] (from the pegmatite at Mt...
Keywords: Manganoan pectolite, Hydrogen bond, Topology, Single crystal structure analysis, X-ray diffraction
12/2007 | Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag