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The incommensurately modulated structure of K3In(PO4)(2) has been solved and refined. The origin of the modulation relates to the ordering of K cations within the hexagonal close packing of the PO4 anions. The driving forces for the modulation of the other ...
Incommensurate structure of Hexamethylenetetramine suberate (C6H12N4)(HOOC-(CH2)6-COOH) has been solved from single crystal x-ray diffraction data. A molecular dynamics simulation of this system was carried out from 15 K to 580K. A second-generation consis ...
Crystals of hexamethylenetetramine (HMT) with aliphatic dicarboxylic acids in 1:1 molar ratio exhibit different behaviour depending on the number n of carbons in the aliphatic chain. For n=8 and 10, incommensurate phases have been observed, while for n=9, ...
The room temperature structure (a-form) of the organic compound p-chlorobenzamide, C7H6ClNO, can be described as a classical three-dimensional periodic superstructure (alpha(s)) and also as a commensurately modulated structure (alpha(m)) in (3 + 1)-dimensi ...
2003
HMT-C11 belongs to the family of adducts formed by the cocrystallization of N-4(CH2)(6) molecules ( hexamethylenetetramine or HMT) and aliphatic dicarboxylic acids HOOC(CH2)(n-2)COOH with 5 less than or equal to n less than or equal to 13 (Cn). The adducts ...
2003
The three-dimensionally modulated incommensurate crystal structure of lazurite from the Baikal region was determined for the first time. The structure was solved within the cubic system with the unit-cell parameter a(cub) = 9.077(1) Angstrom and the (3+2)- ...
The single-crystal investigation of the self-hosting sigma-structure of beta-tantalum (beta-Ta) at 120 K (low-temperature, LT, structure) and at 293 K (RT-I before cooling and RT-II after cooling and rewarming; RT represents room temperature) shows that th ...
Using electrodeposition from a bath of molten fluorides, single crystals of tetragonal beta-tantalum have been obtained for the first time at normal pressure. The unit-cell parameters are a = 10.211 (3), c = 5.3064 (10) Angstrom, space group P (4) over bar ...
The structure of a crystal of Sr0.61Ba0.39Nb2O6 has been solved and refined as an incommensurate structure in five-dimensional superspace. The structure is tetragonal, superspace group P4bm(pp1/2; p-p1/2), unit-cell parameters a = 12.4566 (9), c = 7.8698 ( ...
4-benzoylpyridine thiosemicarbazone (H(4)Bz(4)DH) and N(4')-phenyl-4-benzoylpyridine thiosemicarbazone (H4Bz4Ph) were obtained and fully characterized by infrared, UV and NMR spectroscopies. The assignment of the NMR signals was made by using DEPT135 and t ...