The indexed X-ray diffraction powder data of trans-bis(dimethylphenylphosphine)bis(pyrazole)platinum, {Pt(C3H4N2)2[P(CH3)2(C6H5)]2, PTPP} and trans-(tricyclohexylphosphino) (triethylphosphino) platinum(II) chloride, (PtCl2P2C24H48, PTHE) are reported. PTPP crystallizes in the monoclinic space group C2/c and PTHE crystallizes in the orthorhombic space group Pcab. The refined cell parameters were determined by employing a Siemens Debye-Scherrer camera (Fe radiation, λmean = 1.93736 Å). The cell constants are a = 21.516(5), b = 6.287(1), c = 17.929(4)Å, β = 102.51(1)°, V = 2367.7Å3 Dx=1.70Mg m−3, Dm = 1.70Mg m−3 for PTPP and a = 12.271(1), b = 19.375(1), c = 23.864(3)Å, V = 5673.4Å3, Dx = 1.553Mg m−3 for PTHE. The quantitative figures of merit (FN) are F23 = 47(0.010,51) [F20 = 60(0.009,35)] for PTPP and F30 = 12(0.008,324) [F20 = 27(0.017,105)] for PTHE. The JCPD S Diffraction File No. for PTPP is 37-1999 and for PTHE is 37-2000.

The silicate compound, K3Nb3O6Si2O7, has been synthesized by solid-state reaction. Single crystals were obtained; they crystallized with the hexagonal space group P2c. Refined unit-cell parameters are: a = 9.0377(3), c=8.0465(7)Å, V=569.18(5)Å3, Z=2, Dm = 3.84(4), Dx=3.851. Powder diffraction data are reported.

A systematic survey of phase formation in the Na2O-ZrO2-SiO2 system has revealed inconsistencies in the number and identity of ternary phases, and of their X-ray powder data. The phases Na2ZrSiO5, Na4Zr2Si3O12, Na2ZrSi2O7 and Na2ZrSi4O11 were prepared by solid-state reaction and their experimental X-ray diffraction patterns measured. Calculated X-ray diffraction patterns were generated by computer, using published crystallographic data, and critically compared with the experimentally observed values. The unit-cell constants were redefined to a greater accuracy than the presently accepted values published in the Powder Diffraction File. Only Na4Zr2Si3O12 produced an X-ray diffraction pattern which agreed with that previously published; those from the other phases were significantly different in both the intensities and positions of the reflections. Data for synthetic Na2ZrSi4O11 identical to the mineral vlasovite are reported.

An anisotropic line broadening study of CuO is reported. X-ray powder diffraction line width modifications observed are modeled when comparing data coming from (1) commercial analytical grade CuO, (2) energetic ball milling sample for 1 h, and (3) samples prepared by thermally annealing the ball milled sample at various temperatures. X-ray powder diffraction data from commercial and produced samples were analyzed by the Rietveld method using a pseudo-Voigt function. Different assumptions including size and strain anisotropy were tried to improve pattern fitting. An anisotropic strain broadening, modeled using Stephens’ approximation, yielded the best fit, thus indicating that strain anisotropy is the main source of the departure from a smooth function of line broadening as a function of 2θ observed in all samples.

Sodium Calcium Magnesium Silicate, Na2Ca4Mg2Si4O15, has been investigated by means of X-ray powder diffraction. Data were obtained by a conventional diffractometer. Unit cell dimensions were determined by an indexing program. A monoclinic cell was found, a = 17.884(2) Å, b = 5.3573(8) Å, c = 7.1796(8) Å, β = 112.71 (1)°; V=634.56 A3.

I have made use of X-ray powder diffraction patterns for over sixty years. In the summer of 1922, in anticipation of my becoming a graduate student in chemistry, I read the book “X-Rays and Crystal Structure,” by W. H. and W. L. Bragg. Then in September 1922 I arrived in Pasadena, and immediately began to learn how to determine the structure of a crystal by a study of the X-ray diffraction pattern from Roscoe Gilkey Dickinson, who was the first person to have received a Ph.D. degree from the California Institute of Technology (1920). The procedure in use in Pasadena started with the preparation of a photograph showing lines obtained by Bragg reflection from a developed face of a large crystal with monochromatic radiation, usually molybdenum K alpha and beta. Measurement of the angle of reflection gave a set of possible values for the length of the edges of the unit of structure, usually of a cubic, hexagonal, or tetragonal crystal, since the methods were not powerful enough to permit the evaluation of more than two or three parameters. The next step was the preparation of Laue photographs, and their analysis. This was a powerful method, which often led to the correct structures.

A new ternary compound Al0.35GdGe2 has been synthesized and studied by means of X-ray powder diffraction technique. The ternary compound Al0.35GdGe2 crystallizes in the orthorhombicwith the CeNiSi2 structure type (space group Cmcm, a=4.0874(2) Å, b=16.1499(5) Å,c=3.9372(1) Å, Z=4, and Dcalc=8.007 g/cm3).

X-ray powder data are given for glucopyranosylsorbitol, C12H24O11, and glucopyranosylmannitol dihydrate, C12H24O11 * 2H2O. Refined unit cell parameters for glucopyranosylsorbitol are: a=0.9124(4) nm, b=1.1336(5) nm, c=0.7232(3) nm, and β=91.23(4)° in space group P21 and those for glucopyranosylmannitol dihydrate are a=2.2579(15) nm, b=1.0016(5) nm, and c=0.7584(5) nm in space group P212121.

Thulium (Tm) doped barium yttrium ytterbium fluoride (BaYYbF8:Tm) thin films have been deposited on (100) silicon (Si) or (100) and (111) gallium arsenide (GaAs) substrates. When deposited on (100) Si, with an intermediate amorphous silicon dioxide (SiO2) layer, the BaYYbF8:Tm film was found to be polycrystalline, crystallizing in a previously unobserved cubic phase with a lattice constant a = 11.4208 (9) Å . Films deposited on GaAs, with an intermediate calcium fluoride (CaF2) layer, showed a high degree of planar orientation. Pole figure analysis revealed that the BaYYbF8:Tm films deposited on CaF2/GaAs are in-plane aligned dependent upon the substrate orientation.

Two new thiophosphates with an original structure corresponding to formula ATi2(PS4)3 (with A=Na,Ag) were synthesized by solid-state reaction. The two compounds are isostructural, hexagonal space group P6cc, Z=8. A single crystal of NaTi2(PS4)3 has been studied. Unit-cell parameters were determined for NaTi2(PS4)3 and AgTi2(PS4)3, respectively: a= 19.9131(6) Å, c= 11.5542(7) Å, V=3967.8(3) Å3 and a=20.0146(8) Å, c= 11.5467(8) Å, V=4005.7(4) Å3. Powder diffraction data are reported.

The indexed powder diffraction pattern and related crystallographic data for polymorphic form 2 of carnidazole (C8H12N4O3S) are reported, as a first step in the structure determination by powder diffraction methods. The unit cell dimensions were determined from high resolution synchrotron powder diffraction data (λ=0.079 998 0 nm) and evaluated by indexing programs. The monoclinic cell found for this polymorph is a=1.3908(2) nm, b=08094(2) nm, c=1.0645(2) nm, β=110.82(2)°,V=1.12015(27)nm3, Z=4, Dx=1.445 Mg∕m3.

Crystal data for four p-dibromobenzene/p-chloroiodobenzene mixed crystals, (pDBB)x(pCIB)1-x, with x = 0.1, 0.4, 0.7, 0.9, synthesized by the fusion-quenching method, and a typical powder diffraction pattern are reported. The unit cell is monoclinic with S.G. = P21/a and Z = 2. Cell parameters of solid solution members varied almost linearly between the end member values.

X-ray powder diffraction and optical data are presented for a vanadium-rich dravite from Silver Knob, Mariposa County, California, U.S.A. The limited compositional variability observed for vanadium-rich dravite is due to the presence of a Tschermaks substitution whereby the substitution of Al for Si in the tetrahedral ring is charge balanced by trivalent for divalent cation substitution in the octahedral sites in the structure. Vanadium-rich dravite is uniaxial negative with ε = 1.646(2) and ω = 1.676(2). Refined unit cell dimensions are a = 15.9599(10) and c = 7.1889(2); F30 = 111(0.009; 30); M20 = 80; and Dx = 3.07. An indexed X-ray powder diffraction pattern is also presented.

The Bi4Te3 films with well-ordered orientation and microstructure were successfully prepared on SiO2 substrate by a vacuum thermal evaporation deposition technique for the first time. We discussed the effects of evaporation temperature and substrate temperature on the phase and its well-ordered growth of Bi4Te3 films. The formation of Bi4Te3 phase is owing to the differences of the saturated vapor pressure. The thermoelectric transport properties of the Bi4Te3 films were investigated and the (00l)-oriented nanopillars array film has a better electrical transport performance, whose value of PF is 0.032 mWm−1 K−2 at 339 K, approaching twice that of the non-oriented ordinary film. The enhanced electrical properties of Bi4Te3 films could be achieved via the high-crystallinity well-controlled (00l)-oriented nanopillars array.

X-ray powder diffraction data, unit-cell parameters, and space group for the topiroxostat form II, C13H8N6, are reported [a = 7.344(9) Å, b = 12.946(7) Å, c = 12.133(5) Å, β = 96.99(3)°, V = 1145.2(4) Å3, Z = 4, and space group P21/c]. The topiroxostat monohydrate, C13H8N6·H2O, crystallized in a triclinic system and unit-cell parameters are also reported [a = 7.422(9) Å, b = 8.552(1) Å, c = 11.193(5) Å, α = 74.85(1)°, β = 81.17(1)°, γ = 66.29(1)°, V = 627.0(6) Å3, Z = 2, and space group P-1]. In each case, all measured lines were indexed and are consistent with the corresponding space group. The single-crystal data of two solid-state forms of topiroxostat are also reported, respectively [a = 7.346(2) Å, b = 12.955(2) Å, c = 12.130(7) Å, β = 96.91(6)°, V = 1146.1(3) Å3, Z = 4, and space group P21/c] and [a = 7.418(6) Å, b = 8.532(8) Å, c = 11.183(9) Å, α = 74.807(1) °, β = 81.13(1)°, γ = 66.32(1) °, V = 624.7(6) Å3, Z = 2, and space group P-1]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data.

After regeneration, the catalyst UOP-R-62 was used for conversion of reforming benzine. The percentage of conversion benzine fraction was considerably smaller than that of the new catalyst sample. To determine the cause of catalyst deactivation, in addition to standard methods of analysis, X-ray diffraction and scanning electron microscopy were used. Real and model samples of UOP-R-62 were analysed. Real samples were prepared with the new catalyst, a used and regenerated catalyst with good activity and a deactivated catalyst. Model samples were prepared from the new catalyst by heating at 400–1100 °C in a porcelain crucible in a muffle furnace for 1 h. Prepared samples were measured in a Philips diffractometer system and examined in a scanning electron microscope. The obtained diffractometer patterns, FWHM value of the 440 reflection of γAl2O3, electron micrographs and images of emitted characteristic X-rays were mutually compared. Only the values obtained from the deactivated catalyst differed from the others. Besides reduced broadening of the 440 line the material exhibited new X-ray diffraction lines, a change in phase composition, and modifications in morphology and microstructure. These changes are an indication that overheating of individual spheres of catalyst UOP-R-62 to a temperature of 700—1100 °C or higher caused their deactivation.

The structure of the NiTi matrix covered by multi-layer was studied applying X-ray diffraction techniques supported by electron microscopy. Multi-layer was composed from titanium oxide (passivation) followed by mixture of the hydroxyapatite (HAp) and β-tricalcium phosphate (β-TCP) (electrophoresis). Conditions of deposition as well as sintering did not change the nominal ratio of HAp/TCP and saved their original structure. Also, the passivated NiTi matrix and with HAp/TCP-deposited layer did not change structure. However, sintering, done for HAp/TCP consolidation, introduced local differences in the lattice parameter as well as phase composition of the NiTi matrix. In consequence of that, two-steps martensitic transformation occurred in sintered NiTi/TiO2/Hap–TCP composite.

The X-ray micro-diffraction laboratory technique was applied to study the quantitative changes of austenite content in TRIP steels after deformation and to reveal the phase composition of precipitates in an inner part of a hearth of a blast furnace. The usefulness of this technique was shown by calculating the austenite content after tensile test in three different parts of a small tensile test sample and after a clinching test in two areas of a clinching joint. The calculations showed the decrease in austenite content in deformed parts in comparison to not deformed areas. The presence of various kinds of chlorides, including the iron oxide chloride hydroxide in a sample taken from a graphite refractory lining of blast furnace, was confirmed by micro-diffraction patterns.