Bioapatite, the main constituent of mineralized tissue in mammalian bones, is a calcium-phosphate-based mineral that is similar in structure and composition to hydroxyapatite. In this work, the crystallographic structure of bioapatite in human fetuses was investigated by synchrotron radiation x-ray diffraction (XRD) and microdiffraction ( micro -XRD) techniques. Rietveld refinement analyses of ...

Neutron diffraction study of nanostructured magnetite was performed at room temperature. The actual grain-size was determined from evaluation of X-ray diffraction profiles by the modified Williamson-Hall plot. The atomic structure parameters and the sublattice magnetic moments were determined using the Rietveld refinement of the neutron diffraction spectra. The sublattice magnetization at the o...

A complex refinement of the structure of the battery cathode material, Li1.2Mn0.4Ni0.3Co0.1O2, using neutron and resonant diffraction data is used to demonstrate SVDdiagnostic as a useful tool to diagnose problems in the least squares normal matrix. SVDdiagnostic examines both the unprocessed and pre-conditioned matrices and outputs a 'condition' number as well as combinations of variables caus...

Potassium yttrium hafnium tris-(orthophosphate) belongs to the langbeinite-family and is built up from [MO(6)] octa-hedra [in which the positions of the two independent M sites are mutually occupied by Y and Hf in a 0.605 (10):0.395 (10) ratio] and [PO(4)] tetra-hedra connected via vertices into a three-dimensional framework. This framework is penetrated by large closed cavities in which the tw...

A structural refinement of a natural sample of a Co-bearing mansfieldite, AlAsO(4)·2H(2)O [aluminium orthoarsenate(V) dihydrate], has been performed based on synchrotron powder diffraction data, with 5% of the octa-hedral Al sites replaced by Co. Mansfieldite is the aluminium analogue and an isotype of the mineral scorodite (FeAsO(4)·2H(2)O), with which it forms a solid solution. The framework ...

Potassium lanthanum titanate(IV), KLaTiO(4), has been synthesized by conventional solid-state reaction. It crystallizes isotypically with the NaLnTiO(4) (Ln = La, Pr, Nd, Sm, Eu, Gd, Y and Lu) family. Five of the six atoms in the asymmetric unit (one K, one La, one Ti and two O atoms) are situated on sites with 4mm symmetry, whereas one O atom has 2mm. site symmetry. The crystal structure can b...

Nanoscale potassium niobate (KNbO3) powders of orthorhombic structure were synthesized using the sol-gel method. The heat-treatment temperature of the gels had a pronounced effect on KNbO3 particle size and morphology. Field emission scanning electron microscopy and transmission electron microscopy were used to determine particle size and morphology. The average KNbO3 grain size was estimated t...

The title compound, K(0.8)Ca(9.8)Fe(0.2)(PO(4))(7) (potassium deca-calcium iron hepta-phosphate), belongs to the whitlockite family. The structure is built up from several types of metal-oxygen polyhedra: two [CaO(8)], one [CaO(7)] and one [(Ca/Fe)O(6)] polyhedron with a mixed Ca/Fe occupancy in a 0.8:0.2 ratio, as well as three tetra-hedral [PO(4)] units. Of the 18 sites in the asymmetric unit...

Figure S1: X-ray powder diffraction pattern of the iron oxide nanospheres sample. X-ray Powder diffraction (XRPD) was measured on a conventional in-house powder diffractometer using Cu Kα radiation. Rietveld refinement yields cubic lattice parameters of 8.362(2) Å for the nanospheres and 8.348(1) Å for the nanocubes, which are both close to the cubic spinel lattice parameter of maghemite. The r...

Eight homoleptic metal(III) arylchalcogenolate polymers [M(EPh-p-X)(3)](n) (M = Ru, Cr, and Mo) were characterized by PXRD. Structural solution of [Ru(SPh-p-tBu)(3)](n)1 was achieved by Rietveld refinement of the PXRD data. Pyrolysis of [Ru(SePh)(3)](n)4 produced nanostructured RuSe(2), which selectively catalyzed the reduction of nitro compounds in the presence of other functionalities.