The family of zeolitic imidazolate framework (ZIF) compounds is efficient sorbent materials that can be used for catalytic, ion exchange, gas storage, and gas separation applications. A high-resolution reference X-ray powder diffraction pattern for one of the ZIF members, bis(2-methylimidazolyl)-zinc, C8H10N4Zn (commonly known as ZIF-8), was determined using synchrotron diffraction data obtained at the Advanced Photon Source (APS) in Argonne, IL. The sample was confirmed to be cubic I-43m, with a = 17.01162(6) Å, V = 4932.08 Å3, and Z = 12. The reference X-ray powder diffraction pattern has been submitted for inclusion in the Powder Diffraction File (PDF).

A series of LiFe1−xZnxPO4 (0.0 ≤ x ≤ 1.0) compounds were prepared by solid-state reaction. Effects of the substitution of Zn for Fe on crystal structure and electrochemical properties of LiFe1−xZnxPO4 were investigated. The results show that single-phase regions of LiFe1−xZnxPO4 with orthorhombic (space group Pmna) and monoclinic (Cc) structures were found for the compounds with low Zn (or high Fe) contents of 0.0 ≤ x ≤ 0.30 and high Zn (or low Fe) contents of 0.90 ≤ x ≤ 1.0, respectively. The LiFe1−xZnxPO4 compounds with medium Zn (or Fe) contents of 0.35 ≤ x ≤ 0.80 are two-phase mixtures containing both the orthorhombic and the monoclinic phases. Systematic variations of unit-cell parameters a, b, c, and volume V with the Zn content determined by X-ray diffraction have also been obtained. Our electrochemical study show that the conductivity of LiFe1−xZnxPO4 increases by almost 2 orders of magnitude from 2.13 × 10−9 to 1.27 × 10−7 Scm−1 as the Zn content increasing from x = 0 to 0.3. The initial specific capacity decreases and the cycle performance increase with increasing Zn-doping content in the four orthorhombic LiFe1−xZnxPO4 compounds. Among the four LiFe1−xZnxPO4 compounds, LiFe0.8Zn0.2PO4 has the highest capacity retentions after 6 to 20 cycles and the capacity retention is 93.7% after 20 cycles, even though the initial discharge specific capacity of LiFe0.8Zn0.2PO4 is lower than those of LiFeZnPO4 and LiFe0.9Zn0.1PO4. LiFe0.7Zn0.3PO4 has the highest capacity retention of 97% after 20 cycles.

A new barium copper niobate, Ba4CuNb3O12, was successfully prepared by high-temperature solid-state reaction in an inert atmosphere. Rietveld-refinement analysis of the XRD data of the compound showed that it has the 8H-type hexagonal perovskite structure with space group P63/mmc (#194), a = 5.830(1) Å, c = 19.123(1) Å, and chemical composition of Ba4Cu1.84Nb2.16O12-δ.

Polycrystalline AgIn3Te5 synthesized by melt-quench technique has been analyzed using proton induced X-ray emission (PIXE), X-ray diffraction (XRD), and selected area electron diffraction. PIXE analysis yielded the content of Ag, In, and Te, respectively, to be 9.76%, 31.18%, and 59.05% by weight. Structure refinement was carried out considering those space groups from I- and P-type tetragonal systems which possess 4 symmetry and preserve the anion sublattice arrangement of the chalcopyrite structure (space group: I42d) as well. The results showed that AgIn3Te5 synthesized by melt-quench method crystallizes with P-type tetragonal structure (space group: P42c; unit-cell parameters a = 6.2443(8) and c = 12.5058(4) Å), the presence of which was corroborated by selected area electron diffraction studies.

We reported the surface morphology and electrical property of super-thin Pt films, ∼2 nm thick, deposited on 6H-SiC (0001) substrates and subsequently annealed from 400 to 1000 °C. The surfaces of the films were found to have a feature of islands growth, and the sizes of the islands increased with increasing annealing temperature. Free carbon, produced by selective reactions between Pt and SiC, diffused toward the top surface across the product layers due to low solubility and composition gradient of carbon throughout the reaction zone. A dramatic change of electrical conductivity of the films was observed. A mechanism analysis reveals that the origin came from the contribution of aggregation of islands on the surface and formation of Pt silicides and a thin layer of crystalline graphite.

CaMnO3 is a parent compound for various manganite systems exhibiting useful physical properties. Therefore, its structural and elastic properties are of general interest. In this paper, P–V equation of state of stoichiometric CaMnO3 is determined using energy dispersive X-ray diffraction. The measurements were carried out at a synchrotron beamline F2.1 (Hasylab, DESY) with samples compressed in a cubic-anvil diffraction press, MAX80, for pressures ranging up to 4.84 GPa. The experimental bulk modulus of CaMnO3, derived from the variation in the unit-cell volume with pressure by fitting the Birch–Murnaghan equation of state, is 154.4(3.3) GPa. The results are discussed on the basis of experimental and theoretical data for CaMnO3 and related compounds.

Order-disorder transformations were studied in annealed and high-energy ball-milled near-equiatomic FeCo alloys. X-ray diffraction with Co Kα radiation enables to follow disordering with milling time because of anomalous dispersion.

Ca3−xSrxCo4O9 with different compositions (x=0, 0.15, 0.3, and 0.45) were synthesized from stoichiometric mixtures of Co3O4, CaCO3, and SrCO3, and their unit-cell parameters were determined. The powders were mixed with silicon standard powder, and XRD patterns were collected and analyzed using TOPAS. The compounds were determined to be monoclinic with space group of P2. Unit-cell parameters changed from a=4.8329(3) Å, b=4.5727(1) Å, c=10.8360(4) Å, and β=98.093(7)° when x=0, to a=4.8432(1) Å, b=4.6100(3) Å, c=10.8668(3) Å, and β=98.110(5)° when x=0.3. An unidentified second phase was observed when x=0.45.

Powder diffraction data are presented for two compounds of forensic importance: benzocaine hydrochloride and a monoclinic polymorph of benzocaine base. Data were collected at room temperature using nickel-filtered Cu Kα radiation.

X-ray powder diffraction data, unit-cell parameters, and space group for a new succinylcholine iodide polymorph II, C14H30O4N2I2, are reported [a=13.908(3) Å, b=13.184(3) Å, c=11.717(2) Å, β=92.501(3)°, unit-cell volume V=2146,28 Å3, Z=4, space group P21/c]. All measured lines with the exception of one were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

Ternary Al–Ni–Pt phase isostructural to Al28Ir9 was revealed at the Al74Ni7.2Pt18.8 composition. Its powder diffraction pattern was indexed for the space group P31c (No. 159) and lattice parameters a=12.095(8) and c= 26.922(17) Å.

X-ray powder diffraction data, unit-cell parameters and space group for the β-form of pigment yellow 181, C25H21N7O5, are reported [a = 22.556(6) Å, b = 4.9684(9) Å, c = 21.318(6) Å, β = 109.492(4)°, unit-cell volume V = 2252,1 Å3, Z = 4, space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.