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The crystal structure of Liebigite, Ca2UO2(CO3)3·∼11H2O

Die Kristallstruktur des Liebigits, Ca2UO2(CO3)3·∼11H2O

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Summary

The crystal structure of liebigite, previously only incompletely known from a short note, has been determined from X-ray 4-circle diffractometer data and refined toR=0.030 for 3005 observed reflections. Liebigite from Joachimsthal, Böhmen, was used. It was found to crystallize in the polar orthorhombic space groupBba2−C 172v witha=16.699(3),b=17.557(3),c=13.697(3) Å,V=4016 Å3 and a cell content of 8 Ca2UO2(CO3)3·∼11H2O. The structure contains UO2(CO3)3 units which are linked by two kinds of CaO4(H2O)4 polyhedra and one kind of CaO3(H2O)4 polyhedron to form puckered Ca2UO2(CO3)3·8H2O layers parallel to (010). These layers are interconnected only by hydrogen bonds, both directly as well as via three additional interlayer H2O molecules, two of which show positional disorder.

Zusammenfassung

Die Kristallstruktur des Minerals Liebigit, die bis jetzt nur unzureichend bekannt war, wurde mit Röntgen-Vierkreisdiffraktometer-Daten bestimmt und für 3005 beobachtete Reflexe aufR=0,030 verfeinert. Der untersuchte, von Joachimsthal, Böhmen, stammende Liebigit kristallisiert in der polaren rhombischen RaumgruppeBba2−C 172v mita=16,699(3),b=17,557(3),c=13,697(3) Å,V=4016 Å3 und einem Zellinhalt von 8 Ca2UO2(CO3)3·∼11H2O. Die Struktur enthält UO2(CO3)3-Gruppen, die durch zwei Arten von CaO4(H2O)4-Polyedern und eine Art von CaO3(H2O)4-Polyedern zu buckeligen Ca2UO2(CO3)3·8H2O-Schichten parallel (010) verknüpft sind. Diese Schichten sind nur durch Wasserstoffbrücken verbunden, und zwar sowohl direkt als auch mittels dreier zusätzlicher “freier” Wassermoleküle, von denen zwei eine Lagenfehlordnung aufweisen.

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  1. K. Mereiter

    Present address: Institut für Mineralogie, Kristallographie und Strukturchemie, Technische Universität Wien, Getreidemarkt 9, A-1060, Wien, Austria

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    Mereiter, K. The crystal structure of Liebigite, Ca2UO2(CO3)3·∼11H2O. TMPM Tschermaks Petr. Mitt. 30, 277–288 (1982). https://doi.org/10.1007/BF01087173

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