Hostname: page-component-78c5997874-8bhkd Total loading time: 0 Render date: 2024-11-10T02:49:49.194Z Has data issue: false hasContentIssue false
  • English
  • Français

The crystal structure of carminite: refinement and bond valence calculations

Published online by Cambridge University Press:  05 July 2018

Kharisun ,
Max R. Taylor ,
D. J. M Bevan  and
Allan Pring
Kharisun
Affiliation:
Department of Chemistry, The Flinders University of South Australia, GPO Box 2100 Adelaide, S. A. 5001, Australia
Max R. Taylor
Affiliation:
Department of Chemistry, The Flinders University of South Australia, GPO Box 2100 Adelaide, S. A. 5001, Australia
D. J. M Bevan
Affiliation:
Department of Chemistry, The Flinders University of South Australia, GPO Box 2100 Adelaide, S. A. 5001, Australia
Allan Pring
Affiliation:
Department of Mineralogy, South Australian Museum, North Terrace, S. A. 5000, Australia
Get access Rights & Permissions [Opens in a new window]

Abstract

The crystal structure of carminite, PbFe2(AsO4)2(OH)2 has been refined. The mineral is orthorhombic, Cccm with a = 16.591(2), b = 7.580(1), c = 12.285(1) Å, Z = 8; the structure has been refined to a conventional R = 3.3% using 913 observed reflections [I>2σ(I)]. The structure contains stepped chains of edge-sharing pairs of Fe(O,OH)6 octahedra; these chains are linked by AsO4 tetrahedra and Pb atoms in distorted square antiprismatic co-ordination. The hydrogen bonding network in the structure has been modelled using bond valence calculations.

Keywords

carminitecrystal structure refinementhydrogen bonding network
Type
Mineralogy
Information
Mineralogical Magazine , Volume 60 , Issue 402 , October 1996 , pp. 805 - 811
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 1996

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Footnotes

*

Present address: Agriculture Faculty, General Sordirman University, P.O. Box 25, Purkwokerto 53101, Central Java, Indonesia.

References

Birch, W.D. and Van der Hayden, A. (1988) Minerals from the Kintore opencut, Broken Hill, New South Wales. Mineral. Record, 19, 425–36.Google Scholar
Brown, I.D. (1981) The bond-valence method: an empirical approach to chemical structure and bonding. In Structure and Bonding in Crystals (O'Keeffe, M. and Navrostsky, A., eds.), Academic Press, New York, 2, 1-30.Google Scholar
Brown, I.D. (1992) Chemical and steric constraints in inorganic solids. Acta Crystallogr., B48, 553–72.CrossRefGoogle Scholar
Brown, I.D. and Altermatt, D. (1985) Bond valence parameters obtained from a systematic analysis of the inorganic crystal structure database. Acta Crystallogr., B41, 241–7.Google Scholar
Flack, H.D. (1983) On enantiomorph-polarity estimation. Acta Crystallogr., B39 876–81.CrossRefGoogle Scholar
Finney, J.J. (1963) The crystal structure of carminite. Amer. Mineral., 48, 1–13.Google Scholar
Foshag, W.F. (1937) Carminite and associated minerals from Mapimi, Mexico. Amer. Mineral., 22, 479–84.Google Scholar
Gebhard, G. (1971) Tsumeb. Christel-Gebhard, Giessen, 239 pp.Google Scholar
Hall, S.R., Flack, H.D. and Stewart, J.M. (Editors) (1992) Xtal3.2 Reference Manual. University of Western Australia, Perth, Australia.Google Scholar
International Tables for X-ray Crystallography (1974) Vol IV, Tables 2.2B and 2.3.1.Google Scholar
Meulenaer, J. de and Tompa, H. (1965) The absorption correction in crystal structure analysis. Acta Crystallogr., 19, 1014–8.CrossRefGoogle Scholar
O'Keeffe, M. (1991) EUTAX, a computer program for calculating bond valences. Department of Chemistry, University of Arizona.Google Scholar
Olthof-Hazekamp, R. (1992) CRYLSQ: crystallographic least-squares refinement. In Xtal.3.2 Reference Manual (S.R. Hall, H.D. Flack and J.M. Stewart, eds.). University of Western Australia, Perth, Australia.Google Scholar
Palache, C., Berman, H. and Frondel, C. (1951) Dana's System of Mineralogy, John Wiley and Sons, New York, 2, 912-3.Google Scholar
Pring, A., McBriar, E.M. and Birch, W.D. (1989) Mawbyite a new arsenate of lead and iron related to tsumcorite and carminite, from Broken Hill, New South Wales. Amer. Mineral., 74, 1379–83.Google Scholar