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

  • G. Giuseppetti
  • Carla Tadini


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.


Reflection Crystal Structure Geochemistry Bond Length Structure Factor 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Neubestimmung der Kristallstruktur des Phosgenits,Pb2Cl2(CO3)


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.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. Bouvaist, J., andD. Weigel, 1970: Sesquioxyde de plomb, Pb2O3 I. Détermination de la structure. Acta Cryst.A 26, 501–510.Google Scholar
  2. Cannillo, E., G. Giuseppetti, andC. Tadini, 1969: Riesame della struttura della laurionite PbOHCl. Periodico Min. Roma38, 395–402.Google Scholar
  3. Frondel, C., 1943: The oxides and carbonates of bismuth. Amer. Min.28, 532–533.Google Scholar
  4. Giacovazzo, C., S. Menchetti, andF. Scordari, 1973: The crystal structure of caledonite, Cu2Pb5(SO4)3CO3(OH)6. Acta Cryst.B 29, 1986–1990.Google Scholar
  5. Gillberg, M., 1961: Perite, a new oxyhalide mineral from Långban, Sweden. Arkiv Min. Geol.2, 565–570.Google Scholar
  6. Giuseppetti, G., G. Rossi, andC. Tadini, 1971: The crystal structure of nasonite. Amer. Min.56, 1174–1179.Google Scholar
  7. — andC. Tadini, 1973: Riesame della struttura cristallina della nadorite: PbSbO2Cl. Periodico Min. Roma42, 335–345.Google Scholar
  8. Hanson, H. P., F. Herman, J. D. Lea, andS. Skillman, 1964: HFS atomic scattering factors. Acta Cryst.17, 1040–1044.Google Scholar
  9. Karle, I. L., K. S. Dragonette, andS. A. Brenner, 1965: The crystal and molecular structure of the serotonin-creatinine sulfate complex. Acta Cryst.19, 713–716.Google Scholar
  10. Kay, I. M., 1961: A neutron diffraction study of orthorhombic PbO. Acta Cryst.14, 80–81.Google Scholar
  11. Lagercrantz, A., andL. G. Sillen, 1948: On the crystal structure of Bi2O2CO3 (bismutite) and CaBi2O2(CO3)2 (beyerite). Arkiv. Kemi, Min. Geol.25 A, n. 20, 1–21.Google Scholar
  12. Lipson, H., andW. Cochran, 1966: The determination of crystal structures. London: Bell and Sons.Google Scholar
  13. Marumo, F., andW. Nowacki, 1965: The crystal structure of rathite-I. Z. Krist.122, 433–456.Google Scholar
  14. Nefedov, E. I., 1956: New data on bismutite. Inform. Sbornik. Vsesoyuz. Nauk.-Issledovatel. Geol. Inst.3, 80–82.Google Scholar
  15. Oftedal, E., 1945: On the crystal structure of phosgenite Pb2Cl2CO3 and synthetic compounds Pb2Cl2CO3, Pb2Br2CO3, Pb2(Br, Cl)CO3. Norsk. Geol. Tidsskr.24, 79–88.Google Scholar
  16. Onorato, E., 1934: La struttura della fosgenite. Periodico Min. Roma5, 37–61.Google Scholar
  17. Palmer, K. J., R. Y. Wang, andJ. C. Lewis, 1972: The crystal structure of strontium dipicolinate tetrahydrate. Acta Cryst.B 28, 223–228.Google Scholar
  18. Prewitt, C. T., E. Kirchner, andA. Preisinger, 1967: Crystal structure of larsenite PbZnSiO4. Z. Krist.124, 115–130.Google Scholar
  19. Rouse, R. C., 1971: The crystal chemistry of diaboleite. Z. Krist.134, 69–80.Google Scholar
  20. Schirane, G., R. Pepinsky, andB. C. Frazer, 1956: X-ray and neutron diffraction study of ferroelectric PbTiO3. Acta Cryst.9, 131–140.Google Scholar
  21. Sillén, L. G., andR. Pettersson, 1946: On the crystal structure of Pb2Cl2CO3 (phosgenite) and Pb2Br2CO3. Arkiv. Kemi. Min. Geol.21 A, n. 13,9 pp.Google Scholar
  22. Strunz, H., 1970: Mineralogische Tabellen, 244, 5. Aufl. Leipzig: Akad. Verlagges.Google Scholar
  23. Wells, A. F., 1962: Structural Inorganic Chemistry, 3rd Ed., Oxford: University Press.Google Scholar
  24. Žak, L., andV. Syneček, 1956: Kettnerite (CaF)(BiO)CO3 a new mineral of the phosgenite-bismutite group; preliminary note. Cosopis min. geol.1, 195–197.Google Scholar
  25. ——, 1957: Bismuth minerals from Krupka (Graupen) in the Krušné Hory (Erzgebirge). Univ. Carolina Geol.3, n. 1, 1–46.Google Scholar
  26. ——, 1960: The crystal structure of kettnerite, CaBi(OF/CO3). Czech. J. Phys.10, 195–207.Google Scholar

Copyright information

© Springer-Verlag 1974

Authors and Affiliations

  • G. Giuseppetti
    • 1
  • Carla Tadini
    • 1
  1. 1.Centro di Cristallografia Strutturale del C. N. R.-Istituto di Meneralogia dell'Università di PaviaPaviaItaly

Personalised recommendations