Neutron Diffuse Scattering from Polar Nanoregions in the Relaxor Pb(Mg1/3Nb2/3)O3

We have studied the neutron diffuse scattering in the relaxor PMN. The diffuse scattering appears around the Burns temperature (~620K), indicating its origin from the polar nanoregions (PNR). While the relative diffuse intensities are consistent with previous reports, they are entirely different from those of the lowest-energy TO phonon. Because of that, it has been considered that this TO mode could not be the ferroelectric soft mode. Recently, a neutron scattering study has unambiguously shown that the TO mode does soften on cooling. If the diffuse scattering in PMN originates from the soft mode condensation, then the atomic displacements must satisfy the center of mass condition. But, the atomic displacements determined from diffuse scattering intensities do not fulfill this condition. To resolve this contradiction, we propose a simple model in which the total atomic displacement consists of two components: $\delta_{CM}$ is created by the soft mode condensation, satisfying the center of mass condition, and, $\delta_{shift}$ represents a uniform displacement of the PNR along their polar direction relative to the surrounding (unpolarized) cubic matrix. Within this framework, we can successfully describe the neutron diffuse scattering intensities observed in PMN.Comment: 7 pages, 7 figures (Revised: 11-16-2001

Aluminum substituted manganese oxides for lithium battery applications

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Preparation of nanowires of M substituted manganese dioxides (M=Al, Co, Ni) by the electrochemical-hydrothermal method

International audienceA variety of g-MnO2 compounds containing a metal M (with MZAl, Co or Ni) has been synthesized using the electrochemical–hydrothermal method. Depending on the selected synthesis parameters (temperature, pH, current density, presence of M) various structures and morphologies were obtained for the deposits. The experimental conditions allowing us to prepare M-containing g-MnO2 nanowires, and the structural and physico-chemical characteristics of the obtained samples are presented. The electrochemical Li insertion behavior of these M-containing g-MnO2 nanowires is briefly described

Structure of KNb<SUB>0.5</SUB>V<SUB>0.5</SUB>OPO<SUB>4</SUB>, a KTiOPO<SUB>4</SUB> analog

The crystal structure of KNb0.5V0.5OPO4, a new KTiOPO4 isomorph, has been refined from powder X-ray diffraction data by Rietveld refinement. The structure is orthorhombic, space group Pna21, with a = 12.933(1), b = 6.4713(8), and c = 10.7273(6) Å, Z = 8. There is a preferential distribution of Nb(V) and V(III) atoms in the octahedral M(1) [0.806Nb, 0.194V] and M(2) [0.194Nb, 0.806V] sites, the M(1)O6 octahedra being more distorted than the M(2)O6 octahedra. The results are compared with other KTiOPO4 derivatives

Structure of KNb0.5OPO4, a KTiOPO4 analog

The crystal structure of KNb0.5V0.5OPO4, a new KTiOPO4 isomorph, has been refined from powder X-ray diffraction data by Rietveld refinement. The structure is orthorhombic, space group Pna2(1), with a = 12.933(1), b = 6.4713(8), and c = 10.7273(6) Angstrom, Z = 8. There is a preferential distribution of Nb(V) and V(III) atoms in the octahedral M(1) [0.806Nb, 0.194V] and M(2) [0.194Nb, 0.806V] sites, the M(1)O-6 octahedra being more distorted than the M(2)O-6 octahedra. The results are compared with other KTiOPO4 derivatives

Lead magnoniobate crystal structure determination

The single crystal structure of lead magnoniobate PbMg1/3Nb2/3O3 was determined at 20-degrees-C using data collected with an X-ray automatic four circle diffractometer. The average structure is cubic with space group Pm3m and exhibits important atomic shifts from the special positions of the cubic perovskite structure. The disordered local positions as well as the thermal parameters have been refined to final R index and weighted R(w) index of 0.0368 and 0.0378, respectively. Results are discussed in comparison with previous ones obtained by other techniques

Mo3O5(OH)(2)(AsO4)2: A new solid with a structure related to beta VOPO4

Mo3O5(OH)(2)(AsO4)(2) was prepared at 100 degrees C from an aqueous solution of MoO3 containing arsenic and nitric acids. It crystallises in the monoclinic system, a = 13.024(1)Angstrom, b = 7.2974 (2) Angstrom, c = 13.281(1) Angstrom, beta = 121.124(8)degrees, Z = 4, space group C2/c. The structure was determined by Rietveld refinement from X-ray powder diffraction data. The three-dimensional structure is built up from MoO6 and MoO5OH octahedra and AsO4 tetrahedra sharing corners. The octahedra share two opposite vertices forming zigzag chains that run parallel to [10(1) over bar]. Each AsO4 tetrahedron is connected to four octahedra, two of which belong to the same chain, thus linking three chains. The resulting covalent framework is similar to that of beta VOPO4 in which one tetrahedral P site for every three is empty. The two protons are likely to be bonded to two (out of four) unshared oxygen atoms surrounding this empty site. All the Mo atoms are strongly off-centred in the octahedra; and the off-centring is disordered. The disorder is discussed in terms of Mo shifts perturbed by a disordered hydrogen bonding scheme