Shot peening was conducted on [100]- and [111]-oriented monocrystalline nickel-based superalloy samples to study the effect of crystal orientation on the distributions of the residual stress and evolution of microstructures in the deformation layers on the sample surfaces as a function of the coverage up to 400%. The XRD results show that the orientation randomizations and the values of compressive residual stress in the [111]-oriented samples are relatively higher than those in the [001]-oriented samples. Moreover, the residual-stress distribution in each sample is anisotropic, and the residual stress is maximum along the 〈110〉 direction. This phenomenon can be explained by the anisotropic properties of a single-crystal alloy and mechanism of the dislocation slip in the plastic deformation layers. Line profile analysis was also used to obtain microstructural information of the samples.

X-ray powder diffraction data for CuGa0.15In0.85Se2 and CuGa0.50In0.50Se2 are reported. Indexing of the X-ray diffraction powder pattern and the Rietveld refinement confirmed that these compounds crystallize in the tetragonal crystal system, with space group I-42d (No. 122) and lattice parameters of a=5.7528(2) Å and c=11.5225(3) Å for CuGa0.15In0.85Se2 and a=5.6847(1) Å and c=11.2817(1) Å for CuGa0.50In0.50Se2. The CuGaxIn1−xSe2 system presents the chalcopyrite type crystal structure (CuFeS2) and corresponds to two stacked zinc-blende unit cells. The metal atoms Cu, In, and Ga are regularly ordered in the unit cell. Every Se atom is tetrahedrally bonded to two Cu and two In and Ga atoms.

The status of the solid materials and mineralogical and petrological results of the Stardust mission to comet 81P/Wild 2 are presented. This mission became the first successful sample-return mission since the Apollo project. This time the challenges were much less related to the availability of state-of-the-art analytical capabilities. Still, dedicated tools had to be developed to manipulate the samples that were all firmly embedded in the tracks they made when decelerating in the silica aerogel tiles of the collector. The comet particles were loosely bonded aggregates that shed their grains along the entire length of these tracks. It appears that most of the original comet minerals survived but interactions of debris with melted aerogel occurred and new minerals were made, adding to the incredibly, and unanticipated, diversity of the comet minerals, including some that so far were known only in meteorites. The latter alone showed that transport distances in the solar nebula extended all the way out to beyond Pluto into the Kuiper Belt of icy, comet-like, bodies. The full extent of the scientific yield of this mission is still unknown, promising but stressing current models of the formation of solar systems.

The Rietveld method is increasingly used for amorphous portion determination. This article describes the quantification of amorphous portions using an internal standard in a formal mathematical way. From a set of basic assumptions and postulations, equations for the amorphous portion quantification, the optimum amount of internal standard, and the slope of the amorphous portion calculation formula were derived. With this tool set, the influence of the method principle on the analytical uncertainty is discussed. It is shown that the amount of internal standard has a strong influence on the precision of the amorphous portion determination. A poor choice can make the determination impossible, while a clever choice can enhance the precision compared to the precision of the Rietveld refinement.

Fiber diffraction data have been obtained from Narcissus mosaic virus, a potexvirus from the family Flexiviridae, and soybean mosaic virus (SMV), a potyvirus from the family Potyviridae. Analysis of the data in conjunction with cryo-electron microscopy data allowed us to determine the symmetry of the viruses and to make reconstructions of SMV at 19 Å resolution and of another potexvirus, papaya mosaic virus, at 18 Å resolution. These data include the first well-ordered data ever obtained for the potyviruses and the best-ordered data from the potexviruses, and offer the promise of eventual high resolution structure determinations.

New compounds Li6MB3O9 (M=Nd,Sm,Eu,Tm,Er) were synthesized by solid-state reaction. The crystal structure of Li6NdB3O9 was analyzed from both powder and single crystal X-ray diffraction data. The results obtained by powder diffraction analysis and Rietveld refinement are a=7.2725(4) Å, b=16.6398(9) Å, c=6.7529(5) Å, β=105.398(8)°, and space group P21/c, which agree with the results obtained by single crystal diffraction analysis: a=7.2712(4) Å, b=16.6268(9) Å, c=6.7484(4) Å, β=105.411(1)°, and space group P21/c. This compound is isostructural with Li6YB3O9. Single crystal structure analysis showed that the fundamental building unit of these isostructural compounds comprises three isolated [BO3]3− triangles, one distorted [NdO8]13− triangulated dodecahedron, four distorted [LiO5]9− five-coordinated polyhedra, and two [LiO4]7− tetrahedron. An analysis of the infrared spectrum of Li6NdB3O9 confirmed the presence of isolated [BO3]3− triangles in Li6NdB3O9. The remaining four Li6MB3O9 (M=Nd, Sm, Eu, Tm, and Er) compounds were found to be isostructural with Li6NdB3O9. Their unit cell dimensions decrease with an increase in the atomic number of the rare-earth atoms. DTA and TGA measurements of Li6MB3O9 (M=Nd, Sm, Eu, Tm, and Er) revealed that these borates congruently melt from 800 °C to 860 °C.

A synthetic analogue, Ca(Ti0.6Al0.2Sb0.2)OSiO4, of antimony-bearing titanite of a composition similar to that found at St. Marcel-Praborna (Italy) was synthesized using ceramic methods and the crystal structure was refined using the Rietveld method. Unit-cell dimensions (in Å) are a=7.0184(1), b=8.7097(2), c=6.5586(1), and β=113.700(1)°. The substitution of 40% Ti by (Al+Sb) in octahedra causes a loss of long-range coherency of the off-centered Ti atoms. The space group of Sb-bearing titanite is A2/a, like other cases of M3+-M5+-doped titanites. This study confirms that titanite with up to 0.2 Sb atom per f.u. can exist and that the substitution scheme is 2Ti4+↔Al3++Sb5+.

Manganese molybdate with the formula Mn2MoO5.0.6H2O was synthesized by hydrothermal reaction at 200 °C. The crystal system of this compound is triclinic, space group P−1, Z=1, unit-cell parameters: a=5.7769(5), b=9.7559(6), c=2.8961(2), α=94.37(1), β=101.37(1), and γ=94.75(1). The measured density (Dm) and calculated density (Dx) are 3.200 and 3.103, respectively.

Differences between up-cut and down-cut grinding are usually not considered since both modes are alternating during conventional face grinding. Nevertheless, there is a pronounced distinction in the fashion of material removal which could lead to unequal states of surface residual stress. By means of X-ray diffraction analysis, ground plates made from three types of steel were investigated in order to compute and compare both macroscopic and microscopic residual stress and domains of coherent scattering. With respect to the main sources of residual stress generation, i.e., plastic and thermal deformation, machining process was carried out in two types of cooling environment. The results indicate significant influence of heat removal since differences between the two grinding modes are virtually nonexistent for liquid cooling, whereas dry grinding results in higher compressive normal residual stresses for down-cut mode in comparison to the up cut.

Synthesis and structure of two phosphates belonging to the ternary Sb2O5–In2O3–P2O5 system are realized. Structures of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7 phases, obtained by solid state reaction in air at 950 °C, were determined at room temperature from X-ray powder diffraction using the Rietveld method. SbV1.50InIII0.50(PO4)3 have a monoclinic (space group P21/n) distortion of the Sc2(WO4)3-type framework. Its structure is constituted by corner-shared SbO6 or InO6 octahedra and PO4 tetrahedra. Monoclinic unit cell parameters are a=11.801(2) Å, b=8.623(1) Å, c=8.372(1) Å, and β=90.93(1)°. (Sb0.50In0.50)P2O7 is isotypic with (Sb0.50Fe0.50)P2O7 and crystallizes in orthorhombic system (space group Pna21) with a=7.9389(1) Å, b=16.0664(2) Å, and c=7.9777(1) Å. Its structure is built up from corner-shared SbO6 or InO6 octahedra and P2O7 groups (two group-types). Each P2O7 group shares its six vertices with three SbO6 and three InO6 octahedra, and each octahedron is connected to six P2O7 groups.

Crystalline phases present in pigments scratched off the surfaces of some decorated ceramic sherds belonging to the Cucuteni Neolithic culture were successfully identified using synchrotron radiation X-ray diffraction at Daresbury Laboratory. The ceramic sherds were selected from a collection of the National Museum of Romanian History in Bucharest. The synchrotron radiation X-ray diffraction analysis revealed that the black-color pigments on the surface of a number of sherds were produced by a variety of jacobsite (Fe2MnO4) phases; magnetite (Fe3O4) was also found in one of the sherds. The red color was derived from clay slips with a high content of hematite (Fe2O3). Calcite (CaCO3) was found in the white pigments; its presence was explained as being related to postburial deposition processes. Conclusions on technological aspects, provenance, and conservation issues are given.

A natural sodalite from the geological site Alkaline Complex of Floresta Azul, Bahia, Brazil, has been characterized by electron microprobe, infrared spectroscopy, and powder high-resolution X-ray diffraction techniques. The mineral is an aluminosilicate framework, formed by cages called sodalite unity. Although the sample is natural, the chemical analysis reveals that it is indeed the end member sodalite sensu strictu, Na8[Si6Al6O24]Cl2. Infrared spectroscopy shows Si, Al tetrahedral-oxygen stretching nonsymmetric mode, stretching symmetric mode, and bending modes. Indexing of the experimental X-ray diffraction pattern led to cubic space group P-43n, and unit-cell parameters: a=8.8767(7) Å, Dx=2.301 g cm−3, and V=699.46(1) Å3. X-ray diffraction data are reported. Rietveld refinement was also performed, and the confidence factors are Rp=0.079, Rwp=0.118, and χ2=2.19. The structure of the minerals of sodalite group holds four different tetrahedra: AlO4, ClNa4, Na(ClO3), and SiO4, with Al, Cl, Na, and Si located at the center of each tetrahedron.