Crystal structures of the double salt dihydrates K2Cd(SeO4)2·2H2O, K2Mn(SO4)2·2H2O, (NH4)2Cu(SeO4)2·2H2O and KFeH(SO4)2·2H2O

Author(s): Michel Fleck, Uwe Kolitsch, Birgit Hertweck, Gerald Giester, Manfred Wildner, Markus Prem, Astrid Wohlschläger
Abstract: The crystal structures of the four synthetic double salt compounds K2Mn(SO4)2·2H2O (space group P1̅, no. 2, Z = 2, a = 6.574(1), b = 7.332(1), c = 10.700(1) Å, α = 72.89(1), β = 73.91(1), γ = 69.77(1)°, V = 453.6(1) Å3) and K2Cd(SeO4)2·2H2O(space group P1̅, no. 2, Z = 2, a = 6.625(1), b = 7.542(1), c = 11.349(1) Å, α = 72.17(1), β = 74.55(1), γ = 70.13(1)°, V = 499.3(1) Å3) as well as (NH4)2Cu(SeO4)2·2H2O (space group P1̅, no. 2, Z = 1, a = 5.784(1) Å, b = 7.107(1) Å, c = 7.371(1) Å, α = 104.21(2)°, β = 93.04(2)°, γ = 112.27(2)°, V = 268.19(7) Å3), and KFeH(SO4)2·2H2O(space group P1̅, no. 2, Z = 1, a = 4.626(1), b = 5.820(1), c = 8.265(1) Å, α = 103.86(1), β = 99.77(1), γ = 95.66(1)°, V = 210.64(2) Å3) have been determined from single-crystal X-ray diffraction data collected with a CCD area detector at 293 K, and were refined to R(F) = 0.0231, 0.0251, 0.0230 and 0.0194, respectively. The first two compounds are isostructural. The atomic arrangements are described, with a focus on the hydrogen bonding. All compounds contain kröhnkite [Na2Cu(SO4)2·2H2O]-type tetrahedral-octahedral chains but show different topological arrangements of these chains. A classification is proposed in an accompanying paper. A particular feature of KFeH(SO4)2·2H2O is a disordered H atom involved in a short hydrogen bond, which shows no ordering down to 110 K.
Organisation(s): Department of Mineralogy and Crystallography
Journal: Zeitschrift für Kristallographie : international journal for structural, physical, and chemical aspects of crystalline materials
Volume: 217
Pages: 242-248
No. of pages: 7
ISSN: 0044-2968
DOI: https://doi.org/10.1524/zkri.217.6.242.22812
Publication date: 2002
Peer reviewed: Yes
Austrian Fields of Science 2012: 1051 Geology, Mineralogy
Portal url: https://ucris.univie.ac.at/portal/en/publications/crystal-structures-of-the-double-salt-dihydrates-k2cdseo422h2o-k2mnso422h2o-nh42cuseo422h2o-and-kfehso422h2o(59c2422f-9cc2-4471-a316-cb55683570c6).html

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