35 research outputs found

    Lu5Pd4Ge8 and Lu3Pd4Ge4: Two more germanides among polar intermetallics

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    In this study, two novel Lu5Pd4Ge8and Lu3Pd4Ge4polar intermetallics were prepared by direct synthesis of pure constituents. Their crystal structures were determined by single crystal X-ray diffraction analysis: Lu5Pd4Ge8is monoclinic, P21/m, mP34, a = 5.7406(3), b = 13.7087(7), c = 8.3423(4) \uc5, \u3b2 = 107.8(1), Z = 2; Lu3Pd4Ge4is orthorhombic, Immm, oI22, a = 4.1368(3), b = 6.9192(5), c = 13.8229(9) \uc5, Z = 2. The Lu5Pd4Ge8analysed crystal is one more example of non-merohedral twinning among the rare earth containing germanides. Chemical bonding DFT studies were conducted for these polar intermetallics and showing a metallic-like behavior. Gathered results for Lu5Pd4Ge8and Lu3Pd4Ge4permit to described both of them as composed by [Pd\u2013Ge]\u3b4\u2013three dimensional networks bonded to positively charged lutetium species. From the structural chemical point of view, the studied compounds manifest some similarities to the Zintl phases, containing well-known covalent fragment i.e., Ge dumbbells as well as unique cis-Ge4units. A comparative analysis of molecular orbital diagrams for Ge26\u2013and cis-Ge10\u2013anions with COHP results supports the idea of the existence of complex Pd\u2013Ge polyanions hosting covalently bonded partially polarised Ge units. The palladium atoms have an anion like behaviour and being the most electronegative cause the noticeable variation of Ge species charges from site to site. Lutetium charges oscillate around +1.5 for all crystallographic positions. Obtained results explained why the classical Zintl-Klemm concept can\u2019t be applied for the studied polar intermetallics

    Учет расчетов с персоналом по оплате труда в бюджетных организациях (на примере МБОУ «Красноярская СОШ»)

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    Изучить теоретические аспекты бухгалтерского учета оплаты труда работников образовательного учреждения, нормативно-правовое регулирование оплаты труда работников бюджетной сферы. Рассмотреть практические аспекты ведения бухгалтерского учета оплаты труда в бюджетном учреждении. Рассмотреть вопросы оплаты труда как экономической категории и как объекта бухгалтерского учета, осуществить анализ оплаты труда на основе учетной информации.To study the theoretical aspects of accounting for the remuneration of employees of an educational institution, the legal regulation of the remuneration of public sector employees. Consider the practical aspects of accounting payroll in a budgetary institution. Consider issues of remuneration as an economic category and as an object of accounting, to carry out an analysis of remuneration based on accounting informatio

    The 400 \ub0C Isothermal Section of the La-Co-Mg Ternary System

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    The isothermal section of the La-Co-Mg system at 400 \ub0C was determined by characterization of about thirty ternary alloys synthesised by induction melting in sealed Ta crucibles and then annealed. Scanning electron microscopy (SEM) coupled with energy dispersive x-ray spectroscopy (EDXS) and x-ray powder diffraction (XRPD) were used to analyze microstructures, identify phases, measure their compositions and determine their crystal structures. Phase equilibria are characterized by the absence of ternary solid solutions and by the presence of three ternary phases. The existence and the crystal structure of the La4-xCoMg1 + x (\u3c41, 0 64 x 640.15, cF96-Gd4RhIn) were confirmed and its homogeneity region determined; the new phases La23-xCo7Mg4 + x (\u3c42, -0.50 64 x 640.60, hP68-Pr23Ir7Mg4) and ~La38Co55Mg7 (\u3c43, unknown crystal structure) were detecte

    Unpredicted but It Exists: Trigonal Sc2Ru with a Significant Metal-Metal Charge Transfer

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    The Sc2Ru compound, obtained by high-temperature synthesis, was found to crystallize in a new trigonal hP45 structure type [space group P3\u305m1; a = 9.3583(9) \uc5 and c = 11.285(1) \uc5]: Ru@Sc8 cubes, Ru@Sc12 icosahedra, and uncommon Ru@Sc10 sphenocoronae are the building blocks of a unique motif tiling the whole crystal space. According to density functional theory studies, Sc2Ru is a metallic compound characterized by multicenter interactions: a significant charge transfer occurs from Sc to Ru, indicating an unexpectedly strong ionic character of the interactions between the two transition metals. Energy calculations support our experimental results in terms of stability of this compound, contributing to the recurrent discussion on the limits of the high-throughput first-principles calculations for metallic materials design

    The Y-Cu-Mg system in the 0-66.7 at % Cu concentration range: the isothermal section at 400\ub0C

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    Synthesis and characterization of about fifty alloys were performed in order to construct the isothermal section of the Y\u2013Cu\u2013Mg ternary system at 400 C in the 0\u201366.7 at.% Cu concentration range. Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDXS) and X-ray powder diffraction (XRPD) techniques were used to examine microstructures, identify phases and define their compositions and crystal structures. Phase equilibria in the investigated compositional region are characterized by the absence of extended ternary solid solutions and by the presence of at least ten ternary phases. Crystal structures of the previously reported Y2Cu2Mg, Y5Cu5Mg8, Y5Cu5Mg13, Y5Cu5Mg16 and YCuMg4 phases were confirmed. A ternary phase with homogeneity range around the YCu4Mg stoichiometry was found, crystallizing in the cF24\u2013MgCu4Sn structure type; at 400 C this phase coexists with a ternary solid solution based on the binary Laves phase Cu2Mg, which dissolves about 5 at.% Y. The equiatomic YCuMg phase was also found to exist: from the analysis of X-ray powder patterns it is suggested to crystallize in the hP9\u2013ZrNiAl structure type (a= 0.74449(4) nm, c= 0.39953(2) nm). Two other stoichiometric ternary phases were detected, of approximate compositions Y25Cu18Mg57 and Y13Cu9Mg78, whose crystal structures are still unknown. In the Mg-rich region, a ternary phase forms characterized by a large homogeneity region

    The isothermal section of the La-Ag-Mg phase diagram at 400\ub0C

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    The whole isothermal section of the La-Ag-Mg phase diagram at 400 \ub0C was constructed by means of phase identification and analysis on about eighty annealed ternary alloys. The tendency of Ag and Mg to reciprocally substitute in binary Ag-Mg phases reflects in the formation of several La-Ag-Mg ternary phases including solid solutions based on boundary binary phases, which show wide homogeneity regions extending at a constant La-content. Among the solid solutions, La(AgxMg1-x) (0 <1, cP2-CsCl), La(AgxMg1-x)3 (0<0.67, cF16-BiF(3)) and La2(AgxMg1-x)17 (

    Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb)

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    The crystal chemical features of the new series of compounds R6Mg23C with R = La-Sm or Gd and Ce6Mg23Z with Z = C, Si, Ge, Sn, Pb, P, As, or Sb have been studied by means of single-crystal and powder X-ray diffraction techniques. All phases crystallize with the cubic Zr6Zn23Si prototype (cF120, space group Fm3m, Z = 4), a filled variant of the Th6Mn23 structure. While no Th6Mn23-type binary rare earth-magnesium compound is known to exist, the addition of a third element Z (only 3 atom %), located into the octahedral cavity of the Th6Mn23 cell (Wyckoff site 4a), stabilizes this structural arrangement and makes possible the formation of the ternary R6Mg23Z compounds. The results of both structural and topological analyses as well as of LMTO electronic structure calculations show that the interstitial element plays a crucial role in the stability of these phases, forming a strongly bonded [R6Z] octahedral moiety spaced by zeolite cage-like [Mg45] clusters. Considering these two building units, the crystal structure of these apparently complex intermetallics can be simplified to the NaCl-type topology. Moreover, a structural relationship between RMg3 and R6Mg23C compounds has been unveiled; the latter can be described as substitutional derivatives of the former. The geometrical distortions and the consequent symmetry reduction that accompany this transformation are explicitly described by means of the B\ue4rnighausen formalism within group theory

    Crystal structures of the new ternary stannides La3Mg4-xSn2+x and LaMg3-xSn2

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    Synthesis and structural characterization of the two new lanthanum-magnesium-stannides La3Mg4-xSn2+x (0.12 64x 640.40) and LaMg3-xSn2 (0.33 64x 640.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La3Mg4-xSn2+x phase crystallizes in the hexagonal Zr3Cu4Si2 structure type (P6\uaf2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) \uc5), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg3-xSn2 phase is the second representative of the trigonal LaMg3-xGe2 type, which is a superstructure of the LaLi3Sb2 structure type (P3\uaf1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) \uc5). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg3-xSn2 off-stoichiometry from the geometrical point of view. Structural relationships between the La-Mg-Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB2-related compounds family and discussed with the aid of group-subgroup relations in the B\ue4rnighausen formalism
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