caa a22 4500 378883941 CHVBK 20180305123438.0 cr unu---uuuuu 161128e20041001xx s 000 0 eng 10.1524/zkri.219.10.621.50817 doi (NATIONALLICENCE)gruyter-10.1524/zkri.219.10.621.50817 Weil Matthias The crystal structures of Hg7Se3O13H2 and Hg8Se4O17H2 — two mixed-valent mercury oxoselenium compounds with a multifarious crystal chemistry [Elektronische Daten] [Matthias Weil] Single crystals of the mixed-valent compounds Hg7Se3O13H2 (I) and Hg8Se4O17H2 (II) were grown under hydrothermal conditions. The crystal structures were solved and refined from single crystal X-ray data collected at room temperature (I: R3, Z = 3, a = 5.9239(3), c = 37.096(3) Å, 1465 structure factors, 60 parameters, R[F2 > 2σ(F2)] = 0.0383, wR(F2 all) = 0.0970, Goof = 1.047; II: P31c, Z = 2, a = 5.8908(6), c = 31.048(3) Å, 1889 structure factors, 69 parameters, R[F2 > 2σ(F2)] = 0.0662, wR(F2 all) = 0.1626, Goof = 1.088). Both compounds show a multifarious crystal chemistry and contain triangular Hg34+ cluster cations, Hg22+ dumbbells, Hg2+ cations, HgO22- mercurate groups, and trigonal-pyramidal SeO32- as well as tetrahedral SeO42- anions and water molecules as simple building units. The description in terms of crystal chemistry leads to the more detailed formulae (HgIV/33) (HgI2)(HgII)(HgIIO2)(SeIVO3)2(SeVIO4)(H2O) for I and (HgIV/33)(HgI2)(HgII)2(HgIIO2)(SeIVO3)2(SeVIO4)2(H2O) for II, respectively. Characteristic features of the closely related structures are building blocks formed by parallel layers of Hg34+ triangles, layers of disordered Hg22+ dumbbells, layers of SeO42- and HgO22- groups, and layers of SeO32- groups which are all stacked along [001]. The layers are linked into a complex three-dimensional framework via common O atoms and H2O molecules. In comparison with Hg7Se3O13H2, the structure of Hg8Se4O17H2 contains an additional and disordered HgSeO4 layer which leads to a significant distortion of parts of the resulting structure. © 2004 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/10(2004-10-01), 621-629 2194-4946 219:10<621 2004 219 zkri https://doi.org/10.1524/zkri.219.10.621.50817 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.219.10.621.50817 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Weil Matthias NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/10(2004-10-01), 621-629 2194-4946 219:10<621 2004 219 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter