The fourth version of the program package WinCSD is multi-purpose computer software for crystallographic calculations using single-crystal and powder X-ray and neutron diffraction data. The software environment and the graphical user interface are built using the platform of the Microsoft .NET Framework, which grants independence from changing Windows operating systems and allows for transferring to other operating systems. Graphic applications use the three-dimensional OpenGL graphics language. WinCSD covers the complete spectrum of crystallographic calculations, including powder diffraction pattern deconvolution, crystal structure solution and refinement in 3 + d space, refinement of the multipole model and electron density studies from diffraction data, and graphical representation of crystallographic information.

WinCSD: software package for crystallographic calculations (Version 4)

Exceptional magnetic properties of magnetite, Fe3O4, nanoparticles make them one of the most intensively studied inorganic nanomaterials for biomedical applications. We report successful gram-scale syntheses, via hydrothermal route or controlled coprecipitation in an automated reactor, of colloidal Fe3O4 nanoparticles with sizes of 12.9 ± 5.9, 17.9 ± 4.4, and 19.8 ± 3.2 nm. To investigate structure–property relationships as a function of the synthetic procedure, we used multiple techniques to characterize the structure, phase composition, and magnetic behavior of these nanoparticles. For the iron oxide cores of these nanoparticles, powder X-ray diffraction and electron microscopy both confirm single-phase Fe3O4 composition. In addition to the core composition, the magnetic performance of nanoparticles in the 13–20 nm size range can be strongly influenced by the surface properties, which we analyzed by three complementary techniques. Raman scattering and X-ray photoelectron spectroscopy (XPS) measurements ...

https://biointerface.org/dmitri/papers/055-2014-jpcc118-8691-si.pdf

Large-Scale Synthesis of Colloidal Fe3O4 Nanoparticles Exhibiting High Heating Efficiency in Magnetic Hyperthermia

Synthesis of Bi2WO6 nanoparticles and its electrochemical properties in different electrolytes for pseudocapacitor electrodes

YbPtSn and Yb 2 Pt 3 Sn 5 were prepared from the elements in scaled tantalum tubes in a high-frequency furnace in a novel water-cooled sample chamber. Both structures were refined from single-crystal X-ray data: YbPtSn (ZrNiAl type structure), space group P62m, a = 737.8(3) pm, c = 393.1(2) pm, wR2 = 0.0363, 412 F 2 values, 14 variables; Yb 2 Pt 3 Sn 5 (new structure type), space group Pnma, a = 729.5(2) pm, b 442.2(1) pm, c = 2625.2(6) pm, wR2 = 0.0373. 1378 F 2 values, 62 variables. The structure of YbPtSn contains two crystallographically different platinum positions. Both of them have tricapped trigonal prismatic coordination: [Pt 1 Sn 6 Yb 3 ] and [Pt 2 Sn 3 Yb 6 ]. Yb 2 Pt 3 Sn 5 shows a close relation to the Y 2 Rh 3 Sn 5 structure (space group Cmc2 1 ), however, with a different ordering of the platinum and tin atoms. Both ytterbium positions in Yb 2 Pt 3 Sn 5 have the high co-ordination numbers (CN) of 20 for Yb1 and 18 for Yb2. Magnetic susceptibility measurements of Yb 2 Pt 3 Sn 5 show Curie-Weiss behavior between 50 K and room temperature with an experimental magnetic moment of 2.6(1) μ B /Yb, indicating mixed valency for the ytterbium atoms. Yb 2 Pt 3 Sn 5 is a metallic conductor. 119 Sn Mossbauer spectroscopic data show one signal at δ = 1.75(1 ) mm/s for YbPtSn and δ= 2.02( 1) mm/s for Yb 2 Pt 3 Sn 5 . Both spectra are subjected to quadrupole splitting of ΔE q = 0.59(5) mm/s (YbPtSn) and ΔE q = 0.80(2) mm/s (Yb 2 Pt 3 Sn 5 ).

The stannides YbPtSn and Yb2Pt3Sn5

We present a new Kondo-lattice system, YbNi4P2, which is a clean heavy-fermion metal with a severely reduced ferromagnetic (FM) ordering temperature at TC = 0.17 K, evidenced by distinct anomalies in susceptibility, specific heat and resistivity measurements. The FM nature of the transition, with only a small ordered moment of ∼0.05μB, is established by a diverging susceptibility at TC with huge absolute values in the ferromagnetically ordered state, severely reduced by small magnetic fields. Furthermore, YbNi4P2 is a stoichiometric system with a quasi-one-dimensional crystal and electronic structure and strong correlation effects which dominate the low-temperature properties. This is reflected by a stronger-than-logarithmically diverging Sommerfeld coefficient and a linear-in-T resistivity above TC, which cannot be explained by current theoretical predictions. These exciting characteristics are unique among all correlated electron systems and make this an interesting material for further in-depth investigations.

https://iopscience.iop.org/article/10.1088/1367-2630/13/10/103014/pdf

Ferromagnetic quantum criticality in the quasi-one-dimensional heavy fermion metal YbNi4P2

Use of the CSD Program Package for Structure Determination from Powder Data

YbAgGa2: Synthesis, crystal structure and magnetic behaviour

Crystal Structure of CaCu0.15Ga3.85—A New Variant of the BaAl4 Structure Type: Structure Analysis from X-Ray Powder Diffraction Data

Crystal Structure Solution of LuAu1+xGa2-x from X-Ray Powder Diffraction Data

YbAgGa2: Synthesis, Crystal Structure and Magnetic Behavior.

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