X-ray powder diffraction data, unit-cell parameters, and space group for tectoridin, C22H22O11, are reported [a = 13.577 (2) Å, b = 10.466 (8) Å, c = 9.454 (7) Å, α = 85.709 (4)°, β = 94.855 (3)°, γ = 101.485 (3)°, unit-cell volume V = 1309.50 Å3, Z = 2, ρ = 1.179 × 103 kg m−3, and space group P1]. No detectable impurity was observed.

Polycrystalline TiN/SiNx multilayer coatings were deposited by reactive magnetron sputtering from Ti and Si targets. Interfaces, structures, and mechanical properties of the multilayers were characterized using X-ray reflectivity (XRR), X-ray diffraction (XRD), and nanoindentation analyses. Results showed that substrate bias voltage had a significant influence on the structures and mechanical properties of the multilayer coatings, in which sharp interfaces are responsible for an enhancement of mechanical properties of the multilayer coatings. The maximum hardness occurs at the −80 V coating with the sharpest interface and the strongest [200] preferred orientation.

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.

The compound Th13Te24O74 was prepared by three independent methods, namely, thermal decomposition of ThTe2O6 in oxygen and argon and direct solid-state reaction of ThO2 and TeO2. The X-ray powder diffraction patterns of the three products, by and large, are similar, except for some differences in intensities and extra diffraction lines. The thermal decomposition of ThTe2O6 was carried out in the streams of oxygen and argon by thermogravimetry at a heating rate of 5 K/min in the temperature range of 725–840 °C. The solid-state reaction of ThO2 and TeO2 (13:24) was carried out in a sealed ampoule at 700 °C. The measured density of this compound is 8.23 g/cm3. An orthorhombic lattice with unit cell parameters, a=11.310±0.005 Å, b=14.064±0.006 Å, c=9.056±0.004 Å, and volume of 1440.419±1.088 (Å)3 was determined for this compound.

X-ray powder diffraction data and refined unit cell parameters for SrTi3Nb4O17, SrTi5Nb4O21, SrTi7Nb4O25, SrTi9Nb4O29, SrTi11Nb4O33, SrTi13Nb4O37, and SrTi15Nb4O41 are reported here. The powder patterns for these oxides suggest that they form a homologous series SrM2n+1O4n+5 (M=Ti, Nb; n=3→9), which is isostructural with the orthorhombic “chemically twinned rutile” series found previously in the K2O-TiO2-Ta2O5 and BaO-TiO2-Nb2O5 systems. The structures are built of corner-sharing slabs of the rutile structure; successive members are generated by adding 2TiO2 to the slab thickness of the previous member. The series crystallizes in space group Cmcm (No. 63), with members exhibiting similar a-, b-dimensions (∼6.6, ∼8.9 Å; respectively), and c-dimensions that linearly increase (by ∼4.4 Å per member) from 20.8 Å for n=3 to 47.1 Å for n=9.

A cover for Scintag's six and twelve-position sample changers was designed and constructed to provide an inert atmosphere for samples during diffraction batch runs. The cover is equipped with inlet and outlet gas ports and fits over the top of the sample changer. Using dry nitrogen gas fed into the inlet of the cover, a sample of lithium bromide was protected from atmospheric moisture for greater than 18 h. The cover uses a thin Mylar window that gives greater than 95% transparency for copper K-alpha X-rays. The cover is a simple device that allows our lab to run multiple moisture-sensitive samples in a batch mode. The simple approach and materials used in the construction of the cover could be applied to other brands of powder diffractometers.

An in situ time-resolved XRD system for hydrothermal reaction has been developed in order to investigate the phase evolution during autoclave process in autoclaved aerated concrete (AAC) formation. The system includes a novel autoclave cell for transmission XRD with thin beryllium windows, a two-dimensional photon-counting pixel array detector, and uses high energy X-rays from a synchrotron radiation source. The temperature and pressure inside the cell are extremely stable during hydrothermal reaction over the course of several hours. The system was utilized for the formation reaction of AAC. Phase evolution was clearly observed, including several intermediate phases, and detailed information on the structural changes during the hydrothermal reaction were obtained.

Two carbonates Cs2Sr2(CO3)3 and Rb2Sr2(CO3)3 were synthesized by solid-state reaction at high temperatures, and their crystal structures were determined from X-ray powder diffraction data. Because of the presence of heavy atoms and heavy peak overlapping, proper restrains on light-atom groups were found essential to obtain satisfactory results. The title compounds are isostructural to an early reported compound Cs2Ba2(CO3)3 and crystallize in cubic space group I213, with unit-cell dimensions a=10.072 64(2) Å for the cesium phase and a=9.855 56(7) Å for the rubidium phase. Unlike most carbonates, the title compounds feature in mutually perpendicular CO3 atomic groups. Our results also indicate that the global instability index is a more sensitive parameter in evaluating the structure rationality over the agreement factors. Moreover, differential thermal analysis and thermogravimetric analysis measurements reveal that Cs2Sr2(CO3)3 and Rb2Sr2(CO3)3 are stable in air up to 796 and 880 °C, respectively.

The structure of bethanechol chloride C7H17ClN2O2 is solved from conventional X-ray powder diffraction data in direct space [monoclinic unit cell with a=8.8749(3) Å, b=16.4118(7) Å, c=7.1373(3) Å, β=93.803(1)°, V=1037.29(7) Å3, Z=4, and space group P21/n]. The existence of a second orthorhombic closely related form is discussed.

Powder X-ray diffraction studies of a lithium salt of thiazolidine-4-carboxylic acid (Li-TC4) of composition LiC4H6NSO2 are presented in this paper. Analysis of the synchrotron powder X-ray diffraction data showed that the complex has an orthorhombic symmetry with space group P212121. Unit cell parameters after the refinement using the Pawley method are: a=19.4931(3) Å, b=4.947 77(6) Å, c=6.201 64(8) Å, and V=598.051 Å3.

The capability of whole-powder-pattern decomposition in the quantitative phase analysis (QPA) of natural products was investigated using three- to six-component mixtures and pottery bodies. Here, the term pottery body means plastic clay suitable for making pottery and it is compounded of ceramic raw materials. Average errors of the weight fractions for each phase were within 1 weight percent in each mixture of natural products. The amounts of reduced oxides in pottery bodies derived from the X-ray diffraction technique were in good agreement with results obtained by X-ray fluorescence analysis. The present procedure does not require knowledge of crystal structures; it appears adequate for the QPA of natural products.

X-ray reference powder patterns and structures have been determined for a series of cobalt-, nickel- and zinc-containing niobates, Co(NixZn1−x)Nb4O12 (x = 0.2, 0.4, 0.6, 0.8). The Co(NixZn1−x)Nb4O12 series crystallize in the space group of Pbcn, which is of the disordered columbite-type structure (α-PbO2). The lattice parameters range from a = 14.11190(13) to 14.1569(3) Å, b = 5.69965(6) to 5.71209(13) Å, c = 5.03332(5) to 5.03673(11) Å, and V = 404.844(8) to 407.296(17) Å3 from x = 0.8 to 0.2, respectively. Co(NixZn1−x)Nb4O12 contains double zig-zag chains of NbO6 octahedra and single chain of (Ni,Zn,Co)O6 octahedra run parallel to the bc-plane. Within the same chain the NbO6 octahedra share edges, while the adjacent NbO6 chains are joined to each other through common oxygen corners. These double NbO6 chains are further linked together along the [100]-direction through another (Co,Ni,Zn)O6 units, via common oxygen corners. The edge-sharing (Co,Ni,Zn)O6 also forms zig-zag chains along the c-axis. Powder X-ray diffraction patterns of this series of compounds have been submitted to be included in the Powder Diffraction File.

Described is an improved Gandolfi camera which overcomes the disadvantages of the adjustment procedure of the conventional instrument. The basic principle of the new construction is the introduction into a camera of a complete goniometer head as sample holder with two 45° rotation axes. Particular advantages of the modified Gandolfi camera are a simple and time saving centering technique as well as convenient combination possibilities of powder and single crystal investigations.

The structure of [Al2(pydc)2(μ2-OH)2(H2O)2]n(pydc = 2,5-pyridinedicarboxylate) was successfully determined from powder X-ray diffraction data. The compound crystallizes in the triclinic system (space group P -1) with a = 6.7813(1) Å, b = 7.4944(1) Å, c = 8.5013(1) Å, α = 95.256(1)°, β = 102.478(1)°, γ = 108.979(1)°. The structure consists of aluminum ions coordinating N and O in distorted octahedra, sharing an edge through two hydroxide ions. These dinuclear complexes are connected by pydc ions, which at one end coordinate by nitrogen and oxygen and only by oxygen at the other end. The pydc orientation is reversed in the neighboring pydc, forming double stranded chains interconnected by the aluminum dinuclear complexes in a ladder-like arrangement along [001].