thermal behavior of various solid feldspars are different, namely those of bivalent cations show no change in the distribution of al and si atoms, whereas feldspars of univalent cations become more disordered with raising temperature. in the latter case al atoms migrate from the sites they occupe at low temperatures and interchange positions with the si atoms. at high temperatures (but still be...

Thermal behavior of various solid feldspars are different, namely those of bivalent cations show no change in the distribution of Al and Si atoms, whereas feldspars of univalent cations become more disordered with raising temperature. In the latter case Al atoms migrate from the sites they occupe at low temperatures and interchange positions with the Si atoms. At high temperatures (but stil...

On the atomic scale, Molecular Dynamic (MD) Simulation of Nano Al cluster impact on Al (100) substrate surface has been carried out for energies of 1-20 eV/atom to understand quantitatively the interaction mechanisms between the cluster atoms and the substrate atoms. The many body Embedded Atom Method (EAM) was used in this simulation. We investigated the maximum substrate temperature Tmax  and...

In the title mol-ecule, C30H35NO8, the ace-naphthyl-enone moiety, two atoms of a methyl pyrrolidine ring (N and C atoms) and four atoms of an ethyl acetate moiety (two C and two O atoms) are disordered over two sets of sites in ratio 0.532 (7):0.468 (7). The three C atoms of a di-meth-oxy-ethane ring and dioxolane ring attached with two methyl groups are disordered over two sets of sites in 0.6...

A low-temperature redetermination of the trinuclear cluster compound described as [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3H(2)O [Glowiak, Kubiak & Jezowska-Trzebiatowska (1977 ▶). Bull. Acad. Pol. Sci. Ser. Sci. Chim.25, 359-371] shows that the salt is a 3.5-hydrate, [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3.5H(2)O. The trinuclear cluster cation is disordered in four of the six monochlor...

In the title mol-ecular salt, C(8)H(12)N(+)·C(6)H(10)O(4)P(-), the cation and anion are connected by N-H⋯O hydrogen bonds. The C atoms of the cyclo-hexane ring are disordered over two sets of sites in a 0.51 (4):0.49 (4) occupancy ratio to generate two superimposed chair conformations. One of the terminal phosphate O atoms is also disordered in a 0.62 (2):0.38 (2) ratio.

In the title compound, C24H20N2, one of the ring C atoms and one of the ring N atoms are disordered over two sets of sites in a 0.615 (3):0.385 (3) ratio. The two parts of the disordered imidazole ring adopt an envelope conformation, with the undisordered ring N atom as the flap, displaced by -0.118 (6) and 0.226 (7) Å, respectively, in the two disorder components from the plane through the oth...

In the title polymeric compound, {[Cd(C(15)H(11)N(2)O(2))(2)]·0.1H(2)O}(n), the Cd(II) atom is coordinated by four carboxyl-ate O atoms and two benzimidazole N atoms from four benzimidazolylmethyl-benzoate anions in a distorted octa-hedral geometry. Each anion bridges two Cd atoms through the terminal carboxyl-ate group and an imidazole N atom, forming polymeric complex chains running along the...