X-ray powder diffraction data, unit-cell parameters, and space group for olmesartan medoxomil, C29H30N6O6, are reported [a = 12.3969(7) Å, b = 21.2667(3) Å, c = 10.9603(5) Å, α = γ = 90°, β = 101.38(9)°, unit-cell volume V = 2832.72 Å3, Z = 4 and space group P21/c ]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

This paper introduces a new method to determine the crystalline fraction in samples containing amorphous phases from experimental X-ray diffraction data. Computer generated codes, one for each measured data point, are used to interpret the pattern as to where diffraction peaks exist and what is the angular breadth of each peak's intensity above background. Two parameters are defined that are used to identify the position and intensity of the crystalline phase diffraction peaks. For mold fluxes used in continuous casting, the crystalline fraction of solid slag film is a key factor that can affect heat transfer between solidified shell and mold. In this work, a new method was developed to determine the crystallinity of solid slag films. This method does not require structure parameters or other references, and results can be obtained directly by reading a text file with diffraction data. Results indicate that, there is a positive correlation between crystalline fraction and integrated intensities corresponding to crystalline phases. The selection of integration interval does not have much effect on results. To simplify computations, 20–45°2θ was considered as an appropriate interval.

This work deals with the determination of the mineralogical composition of three quartzite samples, selected as case study to verify the viability and accuracy of various experimental techniques commonly used in geometallurgy and petrography for the determination of the mineralogical composition of rock samples. The investigated samples are from the North-Eastern side of the Denali National Park (Alaska Range, USA). The mineralogical phase abundance of the samples was determined by digitally assisted optical modal point counting, scanning electron microscopy (SEM) + energy dispersive spectroscopy (EDS) modal and digital image analysis, normative calculation from bulk chemistry calculation, and modal Rietveld X-ray powder diffraction. The results of our study indicate that the results provided by modal optical and SEM digitalized counting seem less accurate than the others. The determination with EDS mapping was found to be inaccurate only for one sample. Agreement was found between the X-ray diffraction estimates and bulk chemistry calculation. For both modal optical and SEM digitalized counting, the statistics was probably insufficient to provide accurate results. The estimates obtained from the various methods are compared with each other in the attempt to attain general indications on the precision, accuracy, advantages/disadvantages of each method.

There has been some confusion in the published literature concerning the structure of Metastudtite (UO2)O2(H2O)2 where differing unit cells and space groups have been cited for this compound. Owing to the absence of a refined structure for Metastudtite, Weck et al. (2012) have documented a first-principles study of Metastudtite using density functional theory (DFT). Their model presents the structure of Metastudtite as an orthorhombic (space group Pnma) structure with lattice parameters of a = 8.45, b = 8.72, and c = 6.75 Å. A Powder Diffraction File (PDF) database entry has been allocated for this hypothetical Metastudtite phase based on the DFT modeling (see 01-081-9033) and aforementioned Dalton Trans. manuscript. We have obtained phase pure powder X-ray diffraction data for Metastudtite and have confirmed the model of Weck et al. via Rietveld refinement (see Figure 1). Structural refinement of this powder diffraction dataset has yielded updated refined parameters. The new cell has been determined as a = 8.411(1), b = 8.744(1), and c = 6.505(1) Å; cell volume = 478.39 Å3. There are only subtle differences between the refined structure and that of the first-principles model derived from DFT. Notably, the b-axis is significantly contracted in the final refinement as compared with DFT. There were also subtle changes to the U1, O1, and O3 atom positions. Tabulated powder diffraction data (d's and I's) for the Metastudtite have been derived from the refined model and these new values can serve to augment the PDF entry 01-081-9033 with a more updated entry based on observed X-ray powder diffraction data.

X-ray powder diffraction data, unit-cell parameters, and space group for a new memantine analogue of a Platinum (Pt) (II) complex labelled LA-13, C12H24Cl2N2Pt, are reported [a = 8.324(1) Å, b = 27.838(2) Å, c = 7.113(1), β = 111.25(1), unit-cell volume V = 1536.26 Å3, Z = 4, and space group P21/n]. All measured lines were indexed and are consistent with the P21/n space group. No detectable impurity was observed.

Pb0.88 Ln 0.08TiO3 ferroelectric system, where Ln = La, Sm, Eu, and Dy, has been characterized using Scanning Electron Microscopy, Raman spectroscopy, and X-ray diffraction experiments. Softening of the lowest transverse optical phonon mode E (1TO) was evaluated as a function of the rare earths’ ionic radius suggesting partial occupation of lanthanide ions at the A and B sites of the perovskite structure. Using Rietveld refinements, it has been established a higher incorporation of Ln3+ ions into the A sites of the perovskite structure than that of the B sites for the studied ceramics. The occupation at B sites increases slightly with the decreases of the ionic radii of the lanthanides.