An efficient solid-state approach was established to synthesize (K0.5Na0.5) NbO3 ceramics using calcination kinetics and microwave assisted sintering. Milling of carbonate and oxide raw materials were carried out for 15h to obtain homogeneous nano particles. The crystallite size of 5.30 nm was obtained for the KNN system after calcination through optimized parameters and observed to be stoichio...

The crystal structure of a binary complex of the porcine heart catalytic (C) subunit of cAMP-dependent protein kinase (space group P4(1)32; a = 171.5 A) complexed with a di-iodinated peptide inhibitor, PKI(5-24), has been solved and refined to 2.9 A resolution with an overall R of 21.1%. The r.m.s. deviations from ideal bond lengths and angles are 0.022 A and 4.3 degrees. A single isotropic B o...

Hydrides of Nd2Ni2In were synthesized. Nd2Ni2In crystallizes in the tetragonal Mo2FeB2 structure type. Hydrogen absorption changes the crystal structure to orthorhombic (space group Pbma) so as to accommodate a higher amount of hydrogen. The unit-cell volume increases by 15.5 % for Nd2Ni2InH4.5 and by 21.6 % for Nd2Ni2InH6. Hydrogenation emphasizes antiferromagnetic coupling, but the Néel tempe...

The four new compounds CsTmCoS3, CsYbCoS3, CsHoCoSe3, and CsYbCoSe3 have been synthesized at 1123 K. These black-colored isostructural compounds crystallize in the KZrCuS3 structure type with four formula units in space group Cmcm of the orthorhombic system. The structure of these compounds is composed of 2 [LnCoQ3 ] layers separated by Cs atoms. Because there are no Q Q bonds, the formal oxida...

The pressure-induced phase transition in silicon carbide is studied using a constant-pressure ab initio technique. The reversible transition between the zinc-blende structure and the rock-salt structure is successfully reproduced through the simulation. The transformation mechanism at the atomistic level is characterized, and it is found that the transition is based on a tetragonal and an ortho...

MutT1 (MSMEG_2390) from Mycobacterium smegmatis has been crystallized and the crystals have been characterized using X-ray diffraction. The crystals belonged to space group P2(1)2(1)2(1). The Matthews coefficient suggested the possibility of one protein molecule in the asymmetric unit of the orthorhombic unit cell. Solution of the structure using the known three-dimensional structure of a bacte...

The structural, elastic, and electronic properties of ReN2 are investigated by first-principles calculations with density functional theory. The obtained orthorhombic Pbcn structure is energetically the most stable structure at ambient pressure. ReN2 is a metallic, superincompressible solid and presents a rather elastic anisotropy. The estimated Debye temperature and hardness are 735 K and 17.1...

In this research, the 2-((2-(2-hydroxyethylamino) ethylimino) methyl) phenol (H2L) has been prepared with high yield via condensation of salicylaldehyde and 2-hydroxyethelamine. Crystal structure of H2L is determined at 130K. In the crystal structure of H2L, it is observed that there are two independent H2Lunits. X-ray crystal structural analysis revealed that the H2L belonged to the orthorhomb...

Molybdenum oxide (α-MoO)thin films were prepared on quartz and silicon substrates by thermal oxidation of Mo thin films deposited using DC magnetron sputtering method. The influence of thermal oxidation times ranging from 60-240 min on the structural and morphological properties of the preparedfilms was investigated using X-ray diffraction, Atomic force microscopy and Fourier transform infrared...