Improvements in X-ray optics and detectors have led to unprecedented challenges in interpreting diffraction information. One challenge is obtaining strain results from Debye-Scherrer rings originating from a few grains of material. In addition, results are typically desired from multiple rings over hundreds or thousands of exposures. Current two-dimensional analysis methods build on existing on...

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The title compound {systematic name: 9,10-didehydro-N-[1-(hydroxy-meth-yl)prop-yl]-d-lysergamide maleate}, C(20)H(26)N(3)O(2) (+)·C(4)H(3)O(4) (-), contains a large rigid ergolene group. This group consists of an indole plane connected to a six-membered carbon ring adopting an envelope conformation and N-methyl-tetra-hydro-pyridine where the methyl group is in an equatorial position. In the cry...

An anomalous dependence of the lattice parameter on the crystallite size of nanocrystalline ball-milled powders of metals was observed: lattice contraction followed by lattice expansion with decreasing crystallite size. These data were determined by application of detailed Xray diffraction measurements. To this end, the lattice parameters of all the metals were accurately determined by correcti...

We report a study of single-crystal Raman scattering, powder synchrotron X-ray and neutron diffraction as well as specific heat for the layered compound K2Na[Ag(CN)2]3 in the temperature range 2–300 K. Analysis of the Raman scattering data provides evidence for structural changes at approximately 210 K. Synchrotron X-ray and neutron powder diffraction results indicate essential, gradual changes...

In continuation of our recent x-ray study of the structural phase transitions in the AFeO(2) (A = K, Rb, Cs) family, we have systematically investigated the respective structural and magnetic phase transitions by neutron powder diffraction. While the temperatures of the first-order structural phase transitions are strongly different for the three compounds (~1003, ~737 and ~350 K for A = K, Rb,...

X-Ray powder diffraction (XRPD) has already successfully been used for a long time in the field of pharmaceuticals for polymorph screening (fingerprinting) and more recently for the structural and microstructural analysis of active pharmaceutical ingredients (API) and excipients.Large enough single crystals are in fact either very difficult to growth or do not represent well the properties of t...

Li oxide garnets are among the most promising candidates for solid-state electrolytes in novel Li ion and Li metal based battery concepts. Cubic Li7La3Zr2O12 stabilized by a partial substitution of Zr4+ by Bi5+ has not been the focus of research yet, despite the fact that Bi5+ would be a cost-effective alternative to other stabilizing cations such as Nb5+ and Ta5+. In this study, Li7-xLa3Zr2-xB...

The influence of short-time milling on the atomic structure of amorphous Co(70.3)Fe(4.7)B(25) has been investigated by differential scanning calorimetry (DSC), x-ray powder diffraction (XRD), vibrating sample magnetometer (VSM) and x-ray absorption fine-structure (XAFS) techniques. Our results prove that the milling process crystallizes the initially amorphous sample and that the degree of inhe...

The synthesis of 4-methyl-2,6-di(pyrazol-1-yl)pyridine (L) and four salts of [FeL2]X2 (X(-) = BF4(-), 1; X(-) = ClO4(-), 2; X(-) = PF6(-), 3; X(-) = CF3SO3(-), 4) are reported. Powder samples of 1 and 2 both exhibit abrupt, hysteretic spin-state transitions on cooling, with T1/2↓ = 204 and T1/2↑ = 209 K (1), and T1/2↓ = 175 and T1/2↑ = 193 K (2). The 18 K thermal hysteresis loop for 2 is unusua...