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Crystal structure of Li2Cu3(SeO3)2(SeO4)2

Die Kristallstruktur von Li2Cu3(SeO3)2(SeO4)2

  • Anorganische Und Physikalische Chemie
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Summary

Single crystal X-ray data of the hydrothermally grown new phase Li2Cu3(SeO3)2(SeO4)2 were measured with a four-circle diffractometer up to sin ϑ/λ=0.81 Å−1 [I2/a,Z=4,V=1175.5 Å3,a=16.293(6),b=5.007(2),c=14.448(6) Å, β = 94.21(1)°]. The structure was determined by direct and Fourier methods and refined toR=0.034,R w =0.027 for 2 086 independent reflections.

Cu(1)[4+1]O5 forms a tetragonal pyramid, Cu(2)[4 + 2]O6 is a strongly elongated octahedron. The Li atom is surrounded by four O atoms forming a distorted tetrahedron. Se(IV)O3 and Se(VI)O4 groups are in accordance to literature, mean Se-O bond lengths are 1.714 and 1.644 Å.

Zusammenfassung

Einkristall-Röntgendaten der hydrothermal gezüchteten neuen Phase Li2Cu3(SeO3)2(SeO4)2 wurden mit einem Vierkreisdiffraktometer im Bereich bis zu sin ϑ/λ=0.81 Å−1 gemessen [I2/a,Z=4,V=1175.5 Å3,a=16.293(6),b=5.007(2),c=14.448(6) Å, β=94.21(1)°]. Die Kristallstruktur wurde mittels direkter und Fourier-Methoden bestimmt und für 2 086 unabhängige Reflexe zuR=0.034,R w =0.027 verfeinert.

Cu(1)[4+1]O5 bildet eine tetragonale Pyramide, Cu(2)[4+2]O6 ist ein stark verlängertes Oktaeder. Das Li-Atom ist von vier O-Atomen in Gestalt eines verzerrten Tetraeders umgeben. Die Se(IV)O3-und Se(VI)O4-Gruppen entsprechen der Literatur, die mittleren Se-O-Abstände betragen 1.714 und 1.644 Å.

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References

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Authors and Affiliations

  1. Institut für Mineralogie und Kristallographie, Universität Wien, A-1010, Wien, Austria

    Gerald Giester

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  1. Gerald Giester
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Giester, G. Crystal structure of Li2Cu3(SeO3)2(SeO4)2 . Monatsh Chem 120, 661–666 (1989). https://doi.org/10.1007/BF00809956

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  • DOI: https://doi.org/10.1007/BF00809956

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