|Title||New structures formed by R3Au4Sn3, R5Au8Sn5 and R3Au6Sn5 compounds (R = rare earths)|
|Publication Type||Journal Article|
|Year of Publication||2014|
|Authors||Fornasini, ML, Mazzone, D, Provino, A, Michetti, M, Paudyal, D, Gschneidner, KA, Manfrinetti, P|
|Type of Article||Article|
|Keywords||calculation, ce-au-sn, Crystal chemistry of intermetallics, crystal-structure, Diffraction/scattering, Electronic, electronic-structure, Intermetallics, magnetic-susceptibility, Microprobe, sn-119 mossbauer-spectroscopy, stacking variants, stannides, structure, superstructure, ternary-system, ytterbium|
c = 42.497(7) angstrom, Z = 2, wR2 = 0.078, with refined composition Gd(4.970)AU(8.213)Sn(4.96). Both represent new structures, belonging to the series Rm+n,T2m+nSnm+n (R = rare earth; T = Ni, Cu, Au) built up by intergrowth of m GdPt2Sn and n SrPtSb slabs. Lattice parameters of the isotypic phases were obtained by X-ray powder diffraction analysis. The R3Au8Sn5 compounds crystallize with the previously determined Pr3Au8Sn5 structure, isopointal with the Ce3Pd6Sb5 type, and their lattice parameters derived from powder data are also given. The first principles electronic structure calculations, at 0 K, show increased enthalpy of formation across the lanthanide series in R3Au8Sn5 compounds caused by the decreased integrated density of states at the Fermi level. The systematic increase of the enthalpy of formation across the lanthanide series is the main reason why experimentally R3Au8Sn5 compounds do not form with heavy lanthanides. (C) 2014 Elsevier Ltd. All rights reserved.
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