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Robert E. Dinnebier, Hanne Nuss, Martin Jansen
The crystal structures of solvent-free alkali-metal squarates frompowder diffraction data
The crystal structures of solvent-free lithium, sodium, rubidium, and cesium squarates have been determined from high resolution synchrotron and X-ray laboratory powder patterns. Crystallographic data at room temperature of Li2C4O4: a = 7.1073(3) Å, b = 9.5627(4) Å, c = 3.2973(1) Å, β = 101.11(1)°, V = 219.91(1) Å3, monoclinic, C2/m, Z = 2, Na2C4O4: a = 3.4925(1) Å, b = 6.8152(1) Å, c = 10.3525(2) Å, β = 91.56(1)° V = 246.32(1) Å3, monoclinic, P21/c, Z = 2; Rb2C4O4: a = 10.7908(5) Å, b = 6.8494(3) Å, c = 4.4521(2) Å, β = 92.39(0), V = 328.77(4) Å3, monoclinic, C2/m, Z = 2; Cs2C4O4: a = 11.1768(3) Å, b = 7.0453(2) Å, c = 4.7424(1) Å, β = 92.89(1)°; V = 372.97(4) Å3, monoclinic, C2/m, Z = 2. The packing features of lithium squarate can be deduced from the AlB2 structure type, while sodium, rubidium, and cesium squarate are related to the CdI2 type. The relation between the two types of crystal structures of the squarate dianion is discussed.
Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag
Print ISSN: 0044-2968
Volume: 220, 11/2005
Pages: 954 - 961