Enhanced magnetism and suppressed magnetoelastic coupling induced by electron doping in Ca1-xYxMnReO6.

The Ca2MnReO6double perovskite is a spin-orbit-assisted Mott insulator with exotic magnetic properties, including a largely non-collinear Mn2+spin arrangement and nearly orthogonal coupling between such spins and the much smaller Re 5dmagnetic moments. Here, the electron-doped compound Ca1-xYxMnReO6(x= 0.1, 0.2 and 0.3) is reported and a detailed investigation is conducted forx= 0.3. Neutron and x-ray powder diffraction confirm that nearly full chemical order is maintained at the Mn and Re sites under the Y substitution at the Ca site. X-ray absorption measurements and an analysis of the Mn-O/Re-O bond distances show that the Mn oxidation state remains stable at +2 whereas Re is reduced upon doping. The electron doping increases the magnetic ordering temperature fromTc= 121 to 150 K and also enhances significantly the ferromagnetic component of the Mn spins at the expense of the antiferromagnetic component at the base temperature (T= 3 K). The lattice parameter anomalies atTcobserved in the parent compound are suppressed by the electron doping. The possible reasons for the enhanced magnetism and the suppressed magnetoelastic coupling in Ca1.7Y0.3MnReO6are discussed.

Features of structure, magnetic state and electrodynamic performance of SrFe12-xInxO19.

Indium-substituted strontium hexaferrites were prepared by the conventional solid-phase reaction method. Neutron diffraction patterns were obtained at room temperature and analyzed using the Rietveld methods. A linear dependence of the unit cell parameters is found. In3+ cations are located mainly in octahedral positions of 4fVI and 12 k. The average crystallite size varies within 0.84-0.65 µm. With increasing substitution, the TC Curie temperature decreases monotonically down to ~ 520 K. ZFC and FC measurements showed a frustrated state. Upon substitution, the average and maximum sizes of ferrimagnetic clusters change in the opposite direction. The Mr remanent magnetization decreases down to ~ 20.2 emu/g at room temperature. The Ms spontaneous magnetization and the keff effective magnetocrystalline anisotropy constant are determined. With increasing substitution, the maximum of the ε/ real part of permittivity decreases in magnitude from ~ 3.3 to ~ 1.9 and shifts towards low frequencies from ~ 45.5 GHz to ~ 37.4 GHz. The maximum of the tg(α) dielectric loss tangent decreases from ~ 1.0 to ~ 0.7 and shifts towards low frequencies from ~ 40.6 GHz to ~ 37.3 GHz. The low-frequency maximum of the µ/ real part of permeability decreases from ~ 1.8 to ~ 0.9 and slightly shifts towards high frequencies up to ~ 34.7 GHz. The maximum of the tg(δ) magnetic loss tangent decreases from ~ 0.7 to ~ 0.5 and shifts slightly towards low frequencies from ~ 40.5 GHz to ~ 37.7 GHz. The discussion of microwave properties is based on the saturation magnetization, natural ferromagnetic resonance and dielectric polarization types.

Experimental determination of electrostatic properties of Na-X zeolite from high resolution X-ray diffraction.

High-resolution single crystal X-ray diffraction is used for the first time to obtain the charge density distribution in dehydrated Na-X zeolite. The electron density is extracted according to the Hansen & Coppens multipolar-model, from which Pval-κ-type atomic charges are derived. In order to compare the experimental electron density with theoretical calculations on zeolites and other minerals, a topological analysis is performed to derive AIM charges and electron density properties at bond critical points. The results are compared with that described in the literature. Finally, the electrostatic potential is evaluated in a periodic, mean field approach (disordered cation distribution in the Fd3[combining macron] space group) and for a given distribution of the cations (space group P1). The electrostatic energy is, then, derived in the neighbourhood of cation sites where the molecules are usually physisorbed.

Impact of Mn3+ upon structure and magnetism of the perovskite derivative Pb(2-x)Ba(x)FeMnO5 (x ∼ 0.7).

On the basis of the Mn(3+) for Fe(3+) substitution in Pb(2-x)Ba(x)Fe2O5, a novel oxide Pb1.3Ba0.7MnFeO5 has been synthesized at normal pressure. Though it belongs to the same structural family, the mixed "MnFe" oxide exhibits a very different structural distortion of its framework compared to the pure "Fe2" oxide, due to the Jahn-Teller effect of Mn(3+). Combined neutron diffraction, high resolution electron microscopy/high angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) investigations allow the origin of this difference to be determined. Here we show that the MO6 octahedra of the double perovskite layers in the "MnFe" structure exhibit a strong tetragonal pyramidal distortion "5 + 1", whereas the "Fe2" structure shows a tetrahedral distortion "4 + 2" of the FeO6 octahedra. Similarly, the MO5 polyhedra of the "MnFe" structure tend toward a tetragonal pyramid, whereas the FeO5 polyhedra of the "Fe2" structure are closer to a trigonal bipyramid. Differently from the oxide Pb(2-x)Ba(x)Fe2O5, which is antiferromagnetic, the oxide Pb1.3Ba0.7MnFeO5 exhibits a spin glass behavior with Tg ∼ 50 K in agreement with the disordered distribution of the Mn(3+) and Fe(3+) species.

Miscibility gap in the U-Nd-O phase diagram: a new approach of nuclear oxides in the environment?

To some extent, rare-earth-doped UO(2) is representative of an irradiated nuclear fuel. The two phases we observed previously in neodymium-doped UO(2) are now interpreted as the existence of a miscibility gap in the U-Nd-O phase diagram using new results obtained with Raman spectroscopy. Extrapolating the miscibility gap in the U-Nd-O phase diagram to irradiated UO(2) opens the path to a new understanding of nuclear oxides in the environment.

Magnetic structure of the ferromagnetic new ternary silicide Nd5CoSi2.

Nd(5)CoSi(2) was obtained from the elements by arc-melting followed by annealing at 883 K. Its investigation by single-crystal x-ray and neutron powder diffraction shows that this ternary silicide crystallizes as Nd(5)Si(3) in a tetragonal structure deriving from the Cr(5)B(3)-type (I4/mcm space group; a = 7.7472(2) and c = 13.5981(5) Å as unit cell parameters). The structural refinements confirm the mixed occupancy on the 8h site between Si and Co atoms, as already observed for Gd(5)CoSi(2). Magnetization and specific heat measurements reveal a ferromagnetic behavior below T(C) = 55 K for Nd(5)CoSi(2). This magnetic ordering is further evidenced by neutron powder diffraction investigation revealing between 1.8 K and T(C) a canted ferromagnetic structure in the direction of the c-axis described by a propagation vector k = (0 0 0). At 1.8 K, the two Nd(3+) ions carry ordered magnetic moments equal respectively to 1.67(7) and 2.37(7) µ(B) for Nd1 and Nd2; these two moments exhibit a canting angle of θ = 4.3(6)°. This magnetic structure presents some similarities with that reported for Nd(5)Si(3).

Effect of the Pb(2+) lone electron pair in the structure and properties of the double perovskites Pb2Sc(Ti0.5Te0.5)O6 and Pb2Sc(Sc0.33Te0.66)O6: relaxor state due to intrinsic partial disorder.

We describe the preparation, the crystal structure refined from neutron powder diffraction (NPD) data, and study of the permittivity of two related double perovskites, Pb2Sc(Ti0.5Te0.5)O6 and Pb2Sc(Sc0.33Te0.66)O6. These compounds were synthesized by standard ceramic procedures; Rietveld refinements from room temperature NPD data show that the crystal structures are well defined in a cubic unit cell (space group Fm3m) with double parameter, a = 2a0 ≈ 8 Å. They contain a completely ordered array of ScO6 and (B,Te)O6 (B = Sc, Ti) octahedra sharing corners; the PbO12 polyhedra present an off-center displacement of the lead atoms along the [1 1 1] directions, due to the electrostatic repulsion between the Pb(2+) 6 s electron lone-pair and the Pb-O bonds of the cuboctahedron. Both compounds present a low temperature, highly dispersive maximum in permittivity, the position of which follows the Vogel-Fulcher relation with freezing temperatures of 156 and 99 K for Pb2Sc(Ti0.5Te0.5)O6 and Pb2Sc(Sc0.33Te0.66)O6, respectively, exhibiting a typical phenomenology of relaxors.

Spin-lattice coupling, frustration, and magnetic order in multiferroic RMnO3.

We have performed high-resolution neutron diffraction and inelastic neutron scattering experiments in the frustrated multiferroic hexagonal compounds RMnO_{3} (R = Ho,Yb,Sc,Y), which provide evidence of a strong magnetoelastic coupling in the whole family. We can correlate the atomic positions, the type of magnetic structure, and the nature of the spin waves whatever the R ion and temperature. The key parameter is the position of the Mn ions in the unit cell with respect to a critical threshold of 1/3, which determines the sign of the coupling between Mn triangular planes.

The role of the Pb2+ 6s lone pair in the structure of the double perovskite Pb2ScSbO6.

The new double perovskite Pb2ScSbO6 was synthesized by standard ceramic procedures; the Rietveld refinement of room temperature neutron powder diffraction data shows that the crystal structure is well defined in the space group Fm3[combining macron]m. It contains a completely ordered array of alternating ScO6 and SbO6 octahedra sharing corners; the PbO12 polyhedra present an off-center displacement of the lead atoms along the [111] direction, due to the electrostatic repulsion between the Pb2+ 6s lone pair and the Pb-O bonds of the cuboctahedron. Dielectric permittivity measurements show a peak near 343 K, with a Curie-Weiss response above this temperature, which suggests an antiferroelectric behavior. Finally we present a DFT study of the electronic structure of Pb2ScSbO6, showing a great difference between the electronic density within SbO6 and ScO6 octahedra.

Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data.

An accurate knowledge of zeolite structure is required for understanding their selective sorption capacities and their catalytic properties. In particular, the positions of the exchangeable cations and their interactions with the framework are essential. The present study deals with the accurate crystal structure determination of a fully exchanged and fully dehydrated CaA zeolite (Ca(48)Al(96)Si(96)O(384), Fm3c, a = 24.47 A) using single-crystal high-resolution synchrotron X-ray diffraction [(sin straight theta/lambda)(max) = 1.4 A(-1)]. It is shown that cation exchange severely distorts the skeleton, especially around the O2 atom. The high-resolution synchrotron data reveal that this latter O atom is disordered and lies out of the mirror plane it occupies in other A-type zeolites. This feature is related to that observed for Ca(2+) cations.

HIV-infected pregnant women and their infants. Primary health care implications.

Human immunodeficiency virus infection in women and infants is a significant and growing health care problem in the United States. Young adult black or Hispanic women are at particular risk, especially if they use intravenous drugs or are the sexual partner of someone who does. However, acquired immunodeficiency syndrome/HIV infection is a significant cause of mortality in women of reproductive age (i.e., 15 to 44 years). In addition, the incidence of AIDS in infants directly correlates to the incidence of AIDS in childbearing women. HIV-infected pregnant women need on-going comprehensive prenatal care with a special focus on HIV management. Antepartum care should include an HIV-focused history and physical examination, as well as additional laboratory assessments to screen for viral and bacterial infections. Intrapartum care should focus on avoiding contact with infected or potentially infected secretions and body fluids. Postpartum care should emphasize development of a comprehensive and integrative plan of care for mother, baby and family unit prior to discharge. Avoidance of breastfeeding and strategies to prevent further HIV transmission must be stressed.