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Reexamination of the crystal structure of phosgenite, Pb2Cl2(CO3)

Neubestimmung der Kristallstruktur des Phosgenits,Pb 2 Cl 2(CO 3)

Summary

Phosgenite, Pb2Cl2(CO3), crystallizes tetragonal witha=8.160(4) Å,c=8.883(6) Å; space groupP 4/m bm,Z=4. The refinement of 320 crystallographically independent reflections measured on an automatic four-circle diffractometer resulted inR=0.032 (for structure factors).

The structure contains [Pb, Cl(1)−Cl(2)−Cl(1), Pb]-sheets parallel to (001) which are connected by CO3-groups. The Pb-atoms have nine neighbours: four O and five Cl, forming a strongly deformed “monocapped” square antiprism. The Pb−O bond lengths (average: 2.598 Å) and the Pb−Cl bond lengths (average: 3.160 Å) indicate essentially ionic bonds.

Zusammenfassung

Phosgenit, Pb2Cl2(CO3), kristallisiert tetragonal mita=8,160(4) Å,c=8,883(6) Å; RaumgruppeP 4/m bm,Z=4. Die Verfeinerung mit 320 kristallographisch unabhängigen Reflexen, die auf einem automatischen Vierkreis-Goniometer gesammelt worden waren, ergab (für Strukturfaktoren)R=0,032.

Die Struktur enthält [Pb, Cl(1)−Cl(2)−Cl(1), Pb]-Schichten parallel (001), die durch CO3-Gruppen verbunden werden. Die Pb-Atome haben neun Nachbarn: vier O und fünf Cl, die ein stark deformiertes tetragonales Antiprisma mit einer Zusatzecke bilden. Die Pb−O Bindungslängen (Durchschnitt: 2,598 Å) und die Pb−Cl Bindungslängen (Durchschnitt: 3,160 Å) weisen auf im wesentlichen ionare Bindungen.

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Giuseppetti, G., Tadini, C. Reexamination of the crystal structure of phosgenite, Pb2Cl2(CO3). TMPM Tschermaks Petr. Mitt. 21, 101–109 (1974). https://doi.org/10.1007/BF01081262

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Keywords

  • Reflection
  • Crystal Structure
  • Geochemistry
  • Bond Length
  • Structure Factor