Search results for "Crystal System"
showing 10 items of 13557 documents
Copper(II) complexes of 1,4,5,8,9,12-hexaazatriphenylene with oxalate, squarate, perchlorate as auxiliary ligands or counter ion
2002
Abstract The crystal structures of [Cu(hat)(H2O)(ox)]·H2O (I), [Cu(hat)(H2O)3(sq)]·3H2O (II) and [Cu(hat)(H2O)2](ClO4)2·4H2O (III) have been determined from X-ray single crystal diffraction data (hat=1,4,5,8,9,12-hexaazatriphenylene, ox=oxalate, sq=squarate=dianion of 3,4-dihydroxy-cyclobut-3-ene-1,2-dione). Compound I crystallises in the triclinic system, space group P 1 with a=6.6626(10), b=9.2001(14), c=12.9954(19) A , α=103.301(15), β=91.414(21), γ=105.523(13)°, Z=2; compound II in the orthorhombic system, space group P212121 with a=6.9274(2), b=8.4327(3), c=34.0577(14) A , Z=4; and compound III in the monoclinic system, space group C2/c with a=22.6652(10), b=9.2220(10), c=16.1400(10) A…
Classifying human endothelial cells based on individual granulometric size distributions
2002
Abstract This paper presents an application to a medical problem of methods of shape analysis based on mathematical morphology. The medical problem consists on the detection of abnormalities in the corneal endothelium, a tissue composed by quasi-planar cells of ideally regular hexagonal shape. Images of this tissue are taken by a specular microscope and used to evaluate the corneal endothelium status. Up to now, cell density, hexagonality and an analysis of cell areas are the usual descriptors of a corneal endothelium. These parameters are not sensitive enough to detect subtle lesions. What this paper proposes is an analysis based on granulometries, which are size-shape descriptors widely u…
Fine tuning of the magnetic properties in Mn3-Co Ga Heusler films near the critical regime
2021
Abstract Tunability of structural and magnetic properties of Mn3-xCoxGa films is presented by Co substitution, where critical behavior emerges 0.37 ≤ x ≤ 0.56 exhibiting a transition from tetragonal hard ferrimagnetic with perpendicular magnetic anisotropy (PMA) to a cubic soft ferrimagnetic phase with in-plane magnetic anisotropy (IMA). In the critical regime, coexisting state of tetragonal and cubic phases possesses significantly low coercive field (HC = 1.9 kOe) with relatively low saturation magnetization (MS = 100~150 emu/cc) while maintaining the PMA. From first-principles calculations, moments of two Mn sites do not change upon Co substitution. However, moments of substituted Co almo…
Effects of high-pressure on the structural, vibrational, and electronic properties of monazite-type PbCrO4
2012
We have performed an experimental study of the crystal structure, lattice dynamics, and optical properties of PbCrO 4 (the mineral crocoite) at ambient and high pressures. In particular, the crystal structure, Raman-active phonons, and electronic band gap have been accurately determined. X-ray-diffraction, Raman, and optical absorption experiments have allowed us also to completely characterize two pressure-induced structural phase transitions. The first transition is from a monoclinic structure to another monoclinic structure. It maintains the symmetry of the crystal but has important consequences in the physical properties; among others, a band-gap collapse is induced. The second one invo…
Enhanced crystal stability in a binary mixture of charged colloidal spheres.
2009
We report on the phase behavior of a binary charged sphere mixture of size ratio $\ensuremath{\Gamma}=0.68$ and charge ratio $\ensuremath{\Lambda}\ensuremath{\approx}1$ as a function of composition $p$ and number density $n$. For $p=0.1--0.3$ we observe freezing at densities well below the freezing densities of the pure components. At all compositions our data indicate the formation of substitutional alloy crystals of body centered cubic structure. No indications for compound formation were observed. Rather, our findings point at the first observation of an upper azeotrope. Measurements of the crystallization kinetics reveal a combined density and composition dependence of growth velocities…
Ti2Sn3: A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature
2000
Ti2Sn3 was obtained by chemical transport using iodine as the transport agent in a sealed quartz ampule at 500 °C. Its crystal structurea new type structurewas determined via single-crystal structure analysis to be orthorhombic, space group Cmca, a = 595.56(4), b = 1996.4(2), c = 702.81(5) pm, V = 835.6(1) × 106 pm3, and Z = 8. The structure can be derived from a three-dimensional condensation of a single polyhedron, which comprises a Ti atom in the center, surrounded by seven Sn and four Ti atoms forming a tri-capped square antiprism. Supporting the results of the self-consistent band structure calculations, Ti2Sn3 is a metallic p-type conductor, exhibiting Pauli paramagnetism and a specif…
First-principles and semiempirical calculations forFcenters inKNbO3
1997
The linear muffin-tin-orbital method combined with density functional theory (local approximation) and the semiempirical method of the intermediate neglect of the differential overlap (INDO) based on the Hartree-Fock formalism are used for the study of the $F$ centers (O vacancy with two electrons) in cubic and orthorhombic ferroelectric KNbO$_3$ crystals. Calculations for 39-atom supercells show that the two electrons are considerably delocalized even in the ground state of the defect. Their wave functions extend over the two Nb atoms closest to the O vacancy and over other nearby atoms. Thus, the $F$ center in KNbO$_3$ resembles electron defects in the partially-covalent SiO$_2$ crystal (…
Crystal Fields in Pr-Hydrides
1977
Inelastic neutron scattering was used to determine the crystal field splittings of PrD2 and PrD2.5. For the PrD2 crystal field at the Pr-site is cubic and can be explained by a negative charge of the hydrogen. The splitting observed for PrD2.5 can be described assuming a well defined short range order caused by a mer-configuration of the half filled octahedral hydrogen sites leading to an orthorhombic crystal field. The structure and the paramagnetic susceptibility of the Pr-hydrides are discussed on this basis.
Structure, phase transitions and molecular dynamics in ferroelastic crystal pyrrolidinium hexachloroantimonate(V), [C4H8NH2][SbCl6]
2005
Abstract The crystal structure of the pyrrolidinium hexachloroantimonate(V), [C4H8NH2][SbCl6], abbreviated PCA, has been determined by means of X-ray diffraction at 300 and 340 K. The space groups are monoclinic P 2 1 / n (phase III) and orthorhombic Pmnb (phase II), respectively. The crystal undergoes two structural phase transitions: first-order type at 356/329 K (heating/cooling) from phase (I) to (II) and second-order type at 323 K from phase (II) to (III). Dielectric studies suggest the plastic crystals behaviour above 356 K (phase I). Proton spin-lattice relaxation time ( T 1 ) and second moment ( M 2 ) of polycrystalline [C4H8NH2][SbCl6] have been determined at 77–370 K, at 90 and 25…
The structure, phase transition and molecular dynamics of [C(NH2)3]3[Sb2Br9]
2005
The crystal structures of [C(NH2)3]3[Sb2Br9] (Gu3Sb2Br9) at 300 K and of [C(NH2)3]3[Sb2Cl9] (Gu3Sb2Cl9) at 90 and 300 K are determined. The compounds crystallize in the monoclinic space group: C 2/c. The structure is composed of Sb2X93− (X = Cl, Br) ions, which form two-dimensional layers through the crystal, and guanidinium cations. In Gu3Sb2Br9 the structural phase transformation of the first-order type is detected at 435/450 K (on cooling/heating) by the DSC and dilatometric techniques. The dielectric relaxation process in the frequency range between 75 kHz and 5 MHz over the low temperature phase indicates reorientations of weakly distorted guanidinium cations. The proton 1H NMR second-…