نتایج جستجو برای: monoclinic structure
تعداد نتایج: 1569546 فیلتر نتایج به سال:
Using the first-principles particle swarm optimization algorithm for crystal structural prediction, we have predicted a novel monoclinic C2/m structure for ZrB₃, which is more energetically favorable than the previously proposed FeB₃-, TcP₃-, MoB₃-, WB₃-, and OsB₃-type structures in the considered pressure range. The new phase is mechanically and dynamically stable, as confirmed by the calculat...
The head-tail connector of bacteriophage phi29, an oligomer of gene product 10 (gp10), was crystallized into various forms. The most useful of these were an orthorhombic P22(1)2(1) form (unit-cell parameters a = 143.0, b = 157.0, c = 245.2 A), a monoclinic C2 form (a = 160.7, b = 143.6, c = 221.0 A, beta = 97.8 degrees ) and another monoclinic C2 form (a = 177.0, b = 169.1, c = 185.2 A, beta = ...
The crystal and molecular structures of [bis(5-chloro-2methoxybenzoate)tetraaquamanganese(II)], [pentaaqua(5-chloro-2-methoxybenzoato)cobalt(II)] (5chloro-2-methoxybenzoate), [pentaaqua(5-chloro-2-methoxybenzoato)nickel(II)] (5-chloro-2methoxybenzoate) and [aquabis(5-chloro-2-methoxybenzoate)zinc(II)] monohydrate were determined by a single-crystal X-ray analysis. Mn(H2O)4L2 (where L = C8H6ClO3...
The monoclinic form of trilithium dichromium(III) tris-(ortho-phosphate), Li3Cr2(PO4)3, was prepared by the reactive halide flux method. The structure of the title compound is composed of a three-dimensional anionic framework with composition ∞ (3)[Cr2(PO4)3](3-) and Li(+) ions situated in the empty channels. The rigid framework built up from CrO6 octa-hedra and PO4 tetra-hedra is the same as t...
Tungsten trioxide (WO3) films have been coated on indium thin oxide (ITO) conductive glass substrate, using aqueous solution of peroxotungstic acid (PTA) by the sol-gel dip coating method. X-ray diffractometery (XRD) analysis confirmed monoclinic and triclinic structure for the film and powdered WO3 respectively. Fourier transforms infrared spectroscopy (FT-IR) exhibit...
The thickness-dependent electronic states and physical properties of two-dimensional materials suggest great potential applications in electronic and optoelectronic devices. However, the enhanced surface effect in ultra-thin materials might significantly influence the structural stability, as well as the device reliability. Here, we report a spontaneous phase transformation of gallium telluride...
The surface morphology and crystal structure change of dental zirconia after hydrofluoric acid (HF) etching were evaluated. Four groups of sintered zirconia specimens were 1) control group, 2) immersion in 9.5%HF at 25°C for 1, 2, 3, or 24 h, 3) immersion in 9.5%HF at 80°C for 1, 3, 5, or 30 min and 4) immersion in 48%HF at 25°C for 30 or 60 min. The specimens were evaluated under SEM and XRD. ...
– The electronic structure of the monoclinic structure of Fe3O4 is studied using both the local density approximation (LDA) and the LDA+U . The LDA gives only a small charge disproportionation, thus excluding that the structural distortion should be sufficient to give a charge order. The LDA+U results in a charge disproportion along the c-axis in good agreement with the experiment. We also show...
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