Superspace description of NaCa4Nb5O17 (a perovskite-related compound of the type AnBnO3n+2) as a modulated layered structure.
The recently determined structure of NaCa(4)Nb(5)O(17) is reanalyzed within the superspace framework. The material follows the general features of the superspace model proposed for the perovskite-related compounds of the general formula A(n)B(n)O(3n+2) [Elcoro et al. (2001). Acta Cryst. B57, 471-484]. It can be described as a commensurate modulated structure with discontinuous atomic domains given by occupational crenel functions. These atomic domains automatically introduce the layered configuration of the actual structure in real space. However, the displacive modulations follow a quite different pattern from that observed in the Sr(n)(Nb,Ti)(n)O(3n+2) series, discussed in the above-mentioned reference. The superspace group relevant in this new case has been identified through a systematic search of all the possible groups and a comparison of the resulting superspace embeddings of the experimental three-dimensional structure. Being a commensurate structure, the fundamental ambiguity of the superspace description was broken by choosing the highest possible symmetry that yields smooth displacive atomic modulations and hence minimizes the number of parameters. The efficiency of the proposed superspace model is demonstrated with a new refinement of the structure. Assuming the model's general relevance, symmetry properties for the whole [Ca,Na](n)Nb(n)O(3n+2) series are predicted.
Structure of (Ga2O3)2(ZnO)13 and a unified description of the homologous series (Ga2O3)2(ZnO)(2n + 1).
The structure of (Ga(2)O(3))(2)(ZnO)(13) has been determined by a single-crystal X-ray diffraction technique. In the monoclinic structure of the space group C2/m with cell parameters a = 19.66 (4), b = 3.2487 (5), c = 27.31 (2) Å, and β = 105.9 (1)°, a unit cell is constructed by combining the halves of the unit cell of Ga(2)O(3)(ZnO)(6) and Ga(2)O(3)(ZnO)(7) in the homologous series Ga(2)O(3)(ZnO)(m). The homologous series (Ga(2)O(3))(2)(ZnO)(2n + 1) is derived and a unified description for structures in the series is presented using the (3+1)-dimensional superspace formalism. The phases are treated as compositely modulated structures consisting of two subsystems. One is constructed by metal ions and another is by O ions. In the (3 + 1)-dimensional model, displacive modulations of ions are described by the asymmetric zigzag function with large amplitudes, which was replaced by a combination of the sawtooth function in refinements. Similarities and differences between the two homologous series (Ga(2)O(3))(2)(ZnO)(2n + 1) and Ga(2)O(3)(ZnO)(m) are clarified in (3 + 1)-dimensional superspace. The validity of the (3 + 1)-dimensional model is confirmed by the refinements of (Ga(2)O(3))(2)(ZnO)(13), while a few complex phenomena in the real structure are taken into account by modifying the model.
ROOM- AND HIGH-TEMPERATURE MAGNETIC PROPERTIES OF Sm(CobalFexCu0.088Zr0.025)7.5 (x=0.30) SINTERED MAGNETS
The effect of Fe content on room- and high-temperature magnetic properties of Sm(CobalFexCu0.088Zr0.025)7.5 (x=0-0.30) sintered magnets, prepared by the conventional powder metallurgy method, has been systematically studied. With increasing Fe content, the remanences BT and maximum energy products (BH)max at room temperature gradually increase and reach optimal values of 1.055 T with x=0.27 for BT, and 205 kJ/m3 with x=0.21 for (BH)max, respectively, and then drop sharply with further Fe increase. An excessive addition of Fe (x≥0.24) results in rapid deterioration of permanent magnetic properties due to the formation of a considerable amount of FeCo soft magnetic phase. It was found that the effect of Fe content on high temperature stability is huge. The lower the Fe content, the smaller the temperature coefficient of coercivity. When x=0.07, a temperature coefficient of coercivity of -0.14%/K (293-723 K) can be achieved, as compared with -0.23%/K for x=0.21. BT of 0.725 T, bHc of 517 kA/m, iHc of 764 kA/m, and (BH)max of 95 kJ/m3 at 723 K were obtained, and the B-H demagnetization curve remains a straight line.