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Makovicky, Emil, Stöger, Berthold, Topa, Dan (2018) The incommensurately modulated crystal structure of roshchinite, Cu0.09Ag1.04Pb0.65Sb2.82As0.37S6.08. Zeitschrift für Kristallographie - Crystalline Materials, 233 (3) 255-267 doi:10.1515/zkri-2017-2126

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Reference TypeJournal (article/letter/editorial)
TitleThe incommensurately modulated crystal structure of roshchinite, Cu0.09Ag1.04Pb0.65Sb2.82As0.37S6.08
JournalZeitschrift für Kristallographie - Crystalline Materials
AuthorsMakovicky, EmilAuthor
Stöger, BertholdAuthor
Topa, DanAuthor
Year2018 (March 28)Volume233
Issue3
PublisherWalter de Gruyter GmbH
DOIdoi:10.1515/zkri-2017-2126Search in ResearchGate
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Mindat Ref. ID118098Long-form Identifiermindat:1:5:118098:9
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Full ReferenceMakovicky, Emil, Stöger, Berthold, Topa, Dan (2018) The incommensurately modulated crystal structure of roshchinite, Cu0.09Ag1.04Pb0.65Sb2.82As0.37S6.08. Zeitschrift für Kristallographie - Crystalline Materials, 233 (3) 255-267 doi:10.1515/zkri-2017-2126
Plain TextMakovicky, Emil, Stöger, Berthold, Topa, Dan (2018) The incommensurately modulated crystal structure of roshchinite, Cu0.09Ag1.04Pb0.65Sb2.82As0.37S6.08. Zeitschrift für Kristallographie - Crystalline Materials, 233 (3) 255-267 doi:10.1515/zkri-2017-2126
In(2018, March) Zeitschrift für Kristallographie - Crystalline Materials Vol. 233 (3) Walter de Gruyter GmbH
Abstract/NotesThe Pb–Ag–Sb sulfide roshchinite, Cu0.09Ag1.04Pb0.65Sb2.82As0.37S6.08, is a lillianite homologue N=4 with a complex incommensurate superstructure in the 8.46 Å direction of the orthorhombic crystal lattice witha19.0804(1) Å,b8.4591(2) Å andc12.9451(3) Å, superspace groupPbcn(0σ20)00s,q=0.41458(3)b*. A structure solution and refinement in (3+1) superspace, based on 10,019 observed reflections and 437 refined parameters was terminated at Robs(wR) equal to 7.27 (8.07)% using satellites up to second order; Robsis 4.82 for main reflections only. The Pb atoms in trigonal coordination prisms on planes of unit-cell twinning are semiperiodically replaced by antimony. The marginal columns of (311)PbSslabs of the Sb–Ag based structure which is based on PbS-like topology contain Sb, Ag(Cu) and mixed Ag/Sb sites in a complicated sequence. Central portions of the slabs are occupied by Sb–S crankshaft chains, best exposed on the (100)PbSplanes, which run diagonally across the slabs. In these planes, in their majority the chains display Sb3S4form and two opposing orientations, zig-zagging along the [010] direction. Every six chains, a parallel configuration of two chains occurs, but occasionally this interval is reduced to five chains. This, together with related compositional changes in the Pb– and Ag–Sb column, explains the one-dimensionally incommensurate character of roshchinite. Modestly elevated contents of As replacing Sb are the probable reason of modulation and non-commensurability in roshchinite.

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Roscherite
Roshchinite


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