naa a22 4500 510774431 CHVBK 20180411083225.0 cr unu---uuuuu 180411e20130301xx s 000 0 eng 10.1007/s12210-012-0213-1 doi (NATIONALLICENCE)springer-10.1007/s12210-012-0213-1 The crystal structure of grumiplucite: its OD character and structural relationships [Elektronische Daten] [Stefano Merlino, Cristian Biagioni, Paolo Orlandi] A new single-crystal X-ray diffraction study of grumiplucite, HgBi2S4, from Levigliani mine, Apuan Alps, Tuscany, Italy, has allowed the refinement of its crystal structure, confirming its identity with the synthetic analogue. Its crystal structure was refined up to R 1=0.116 in the space group C2/m, with a 14.1690(16), b 4.0508(4), c 13.9751(14) Å, β 118.292(6)°, V 706.29(13) Å3. The crystal structure is formed by (001) layers, built up by Bi2S4 rods running along b, connected through Hg2+ ions in the [100] direction. Each rod is built up by chains of edge-sharing square-pyramidal BiS5 polyhedra, paired through the apical Bi-S bonds. Adjacent layers are connected through weaker Bi-S bonds, in agreement with the good {001} cleavage of grumiplucite. Grumiplucite has an order-disorder (OD) character and can be described as formed by equivalent layers having a layer symmetry C 1 2/m 1, with translation vectors a=14.161, b=4.051, c 0=6.18 Å, β 90°. Applying the OD theory, two Maximum Degree of Order (MDO) polytypes were derived. MDO1 polytype is orthorhombic, with space group Ccm21, with a 14.16, b 4.05, c 12.36 Å, whereas the MDO2 polytype, corresponding to the refined structure, is monoclinic, space group C2/m, with a 14.16, b 4.05, c 14.2 Å, β 119.9°, in satisfying agreement with experimental data. Grumiplucite is a member of the pavonite homologous series and is structurally related to kudriavite (Cd,Pb)Bi2S4, and some synthetic compounds. In addition, appealing structural relationships occur also with livingstonite, HgSb4S8. Accademia Nazionale dei Lincei, 2012 Grumiplucite nationallicence Crystal structure nationallicence Order-disorder (OD) nationallicence Sulfosalt nationallicence Pavonite nationallicence Kudriavite nationallicence Livingstonite nationallicence Merlino Stefano Dipartimento di Scienze della Terra, Università di Pisa, Via S. Maria 53, 56126, Pisa, Italy aut Biagioni Cristian Dipartimento di Scienze della Terra, Università di Pisa, Via S. Maria 53, 56126, Pisa, Italy aut Orlandi Paolo Dipartimento di Scienze della Terra, Università di Pisa, Via S. Maria 53, 56126, Pisa, Italy aut Rendiconti Lincei Springer Milan 24/1(2013-03-01), 47-52 2037-4631 24:1<47 2013 24 12210 https://doi.org/10.1007/s12210-012-0213-1 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12210-012-0213-1 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Merlino Stefano Dipartimento di Scienze della Terra, Università di Pisa, Via S. Maria 53, 56126, Pisa, Italy aut NATIONALLICENCE 700 1- Biagioni Cristian Dipartimento di Scienze della Terra, Università di Pisa, Via S. Maria 53, 56126, Pisa, Italy aut NATIONALLICENCE 700 1- Orlandi Paolo Dipartimento di Scienze della Terra, Università di Pisa, Via S. Maria 53, 56126, Pisa, Italy aut NATIONALLICENCE 773 0- Rendiconti Lincei Springer Milan 24/1(2013-03-01), 47-52 2037-4631 24:1<47 2013 24 12210 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer