17 research outputs found
Structural response to O*-O' and magnetic transitions in orthorhombic perovskites
We present a temperature dependent single crystal x-ray diffraction study of
twinned orthorhombic perovskites La1-xCaxMnO3, for x=0.16 and x=0.25. These
data show the evolution of the crystal structure from the ferromagnetic
insulating state to the ferromagnetic metallic state. The data are modelled in
space group Pnma with twin relations based on a distribution of the b axis over
three perpendicular cubic axes. The twin model allows full structure
determination in the presence of up to six twin fractions using the single
crystal x-ray diffraction data.Comment: 13 pages, including 13 figures and 2 table
Disorder induced phase segregation in La2/3Ca1/3MnO3 manganites
Neutron powder diffraction experiments on La2/3Ca1/3MnO3 over a broad
temperature range above and below the metal-insulator transition have been
analyzed beyond the Rietveld average approach by use of Reverse Monte Carlo
modelling. This approach allows the calculation of atomic pair distribution
functions and spin correlation functions constrained to describe the observed
Bragg and diffuse nuclear and magnetic scattering. The results evidence phase
separation within a paramagnetic matrix into ferro and antiferromagnetic
domains correlated to anistropic lattice distortions in the vicinity of the
metal-insulator transition.Comment: 3 pages, 4 figures. Submitted to Phys. Rev. Lett. Figure 1 replace
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The threading of [(CuCN)(2)(mu-4,4 '-bpy)] sheets by CuCN chains
Yellow (CuCN)(2)[(CuCN)(2)(mu-4,4'-bpy)], formed in the hydrothermal reaction of CuCN with 4,4'-bipyridine at 453 K, contains two types of infinite CuCN chains. One set of CuCN chains is linked by 4,4'-bpy ligands to form almost flat sheets of composition [(CuCN)(2)(mu-4,4'-bpy)]. Holes in these sheets are aligned to allow pairs of approximately linear, infinite -(CuCN)- chains to thread through them. The closest interatomic approach between copper atoms in the threading chains and host sheets (similar to2.74 Angstrom) does not appear to represent a significant covalent bond as it leads to only a small distortion of the -(CuCN)- chains from linearity The relationship of this material to the previously determined structures of the host [(CuCN)(2)(mu-4,4'-bpy)] sheets and (CuCN)(3)[(CuCN)(2)(mu-4,4'-bPY)](2), in which these sheets are threaded by single -(CuCN)- chains, is discussed
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Modeling the structure of amorphous MoS3: a neutron diffraction and reverse Monte Carlo study
A model for the structure of amorphous molybdenum trisulfide, a-MoS3, has been created using reverse Monte Carlo methods. This model, which consists of chains Of MoS6 units sharing three sulfurs with each of its two neighbors and forming alternate long, nonbonded, and short, bonded, Mo-Mo separations, is a good fit to the neutron diffraction data and is chemically and physically realistic. The paper identifies the limitations of previous models based on Mo-3 triangular clusters in accounting for the available experimental data
A study of some oxide insertion compounds
SIGLELD:D50649/84 / BLDSC - British Library Document Supply CentreGBUnited Kingdo
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Dicopper(II) trihydroxide cyanoureate dihydrate
The title compound, poly[[mu-cyanoureato-tri-mu-hydroxidodicopper(II)] dihydrate], {[Cu-2(C2H2N3O)(OH)(3)]center dot 2H(2)O}(n), is a new layered copper(II) hydroxide salt (LHS) with cyanoureate ions and water molecules in the interlayer space. The three distinct copper(II) ions have distorted octahedral geometry: one Cu (symmetry (1) over bar) is coordinated to six hydroxide groups (4OH + 2OH), whilst the other two Cu atoms (symmetries (1) over bar and 1) are coordinated to four hydroxides and two N atoms from nitrile groups of the cyanoureate ions (4OH + 2N). The structure is held together by hydrogen-bonding interactions between the terminal-NH2 groups and the central cyanamide N atoms of organic anions associated with neighbouring layers