title: Cu3Sn - understanding the systematic absences.
abstract: The intermetallic compound Cu3Sn has previously been described as a long-period antiphase boundary superstructure of the Cu3Ti structure type. While the compound itself has been reported as a tenfold and an eightfold superstructure, ternary doped alloys show shorter repetitions. Interestingly, the diffraction patterns of these compounds show non-crystallographic absences that cannot be explained using the superstructure models. Since the compound exhibits phase broadening, these models are not satisfactory because the paucity of observed data does not allow for a refinement of the composition. Here, an alternative, superspace model in the orthorhombic space group Xmcm(0β0)000 is proposed, with the centering vectors (0,0,0,0) and (½,0,0,½). The presence of the non-crystallographic absences is explained as a result of a dominating occupational modulation that is accompanied by a weaker displacive modulation. In consistency with the EDXS results, the composition has been refined to Cu3 + xSn from single-crystal X-ray diffraction data. It is further demonstrated that by varying the length and the direction of the modulation wavevector in the superspace model, the ternary Cu3Sn compounds and other colored hexagonal close packing (h.c.p.) structures can be produced.
authors.affiliation: Centre for Analysis and Synthesis, Lund University, Box 124, 22100 Lund, Sweden.
authors.forename: Carola J
authors.initials: CJ
authors.lastname: Müller
authors.affiliation: Centre for Analysis and Synthesis, Lund University, Box 124, 22100 Lund, Sweden.
authors.forename: Sven
authors.initials: S
authors.lastname: Lidin
keywords: hexagonal close packing; incommensurate structure; non-stoichiometric intermetallic compound