Calcio-olivine γ-Ca2SiO4: I. Rietveld refinement of the crystal structure (original) (raw)

Abstract

The structure of the natural mineral calcio-olivine (γ-Ca2SiO4) found in skarn xenoliths in the region of the Lakargi Mountain (North Caucasus, Kabardino-Balkaria, Russia) is refined by the Rietveld method [a = 5.07389(7) Å, b = 11.21128(14) Å, c = 6.75340(9) Å, V = 384.170(5) Å3, Z = 4, ρcalcd = 2.98 g/cm3, space group Pbnm_]. The X-ray diffraction pattern of a powdered sample is recorded on a STOE STADI MP diffractometer [λCu_K α1; Ge(111) primary monochromator; 6.00° < 2θ < 100.88°; step width, 2.5° in 2θ; number of reflections, 224]. All calculations are performed with the WYRIET (version 3.3) software package. The structural model is refined in the anisotropic approximation to R p = 6.44, R wp = 8.52, R exp = 5.85, R B = 4.98, R F = 6.90, and s = 1.46. It is shown that the sample under investigation is a mixture of several mineral phases, among which calcio-olivine (the natural analogue of the γ-Ca2SiO4 compound) (83%), hillebrandite (13%), and wadalite (4%) are dominant. Only the scale factors and the unit cell parameters are refined for hillebrandite Ca2SiO3(OH)2 [a = 3.63472(16) Å, b = 16.4140(10) Å, c = 11.7914(8) Å, space group Cmc_21, Z = 6] and wadalite Ca6Al5Si2O16Cl3 (a = 12.0088 Å, space group, I \( \bar 4 \)3_d Z = 4). The results of the structure refinement of the main component of the sample confirm that the mineral calcio-olivine is isostructural to the synthetic compound γ-Ca2SiO4. The structure of this compound is formed by the heteropolyhedral framework composed of Ca octahedra joined together into olivine-like ribbons and isolated Si tetrahedra.

Access this article

Log in via an institution

Subscribe and save

Buy Now

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. H. F. W. Taylor, Cement Chemistry (Academic, New York, 1990; Mir, Moscow, 1996).
    Google Scholar
  2. M. A. Bredig, J. Am. Ceram. Soc. 33, 188 (1950).
    Article Google Scholar
  3. G. Yamaguchi, Y. Ona, S. Kawamura, and Y. Soda, J. Ceram. Assoc. Jpn., No. 2, 21 (1963).
  4. W. Eysel and T. Hahn, Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem. 131, 322 (1970).
    Google Scholar
  5. M. Catti, G. Gazzoni, and G. Ivaldi, Acta Crystallogr., Sect. B: Struct. Sci. 40, 537 (1984).
    Article Google Scholar
  6. A. M. Il’inets and M. Ya. Bikbau, Kristallografiya 35(1), 84 (1990) [Sov. Phys. Crystallogr. 35 (1), 50 (1990)].
    Google Scholar
  7. A. M. Il’inets and M. Ya. Bikbau, Kristallografiya 35(1), 91 (1990) [Sov. Phys. Crystallogr. 35 (1), 54 (1990)].
    Google Scholar
  8. W. G. Mumme, R. J. Hill, G. W. Bushnell, and E. R. Segnit, Neues Jahrb. Mineral., Abh. 169(1), 35 (1995).
    Google Scholar
  9. W. G. Mumme, L. Cranswick, and B. Chakoumakos, Neues Jahrb. Mineral., Abh. 170(2), 171 (1996).
    Google Scholar
  10. P. B. Moore and T. Araki, Am. Mineral. 57, 1355 (1973).
    Google Scholar
  11. C. E. Tilley, Mineral. Mag. J. Mineral. Soc. 22, 77 (1929).
    Article Google Scholar
  12. C. M. Midgley, Acta Crystallogr. 5, 307 (1952).
    Article Google Scholar
  13. K. H. Jost, B. Ziemer, and R. Seydel, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 33, 1696 (1977).
    Article Google Scholar
  14. A. L. Day, E. S. Shepherd, and F. E. Wright, Am. J. Sci. 22, 265 (1906).
    Google Scholar
  15. T. E. Bridge, Am. Mineral. 51, 1768 (1966).
    Google Scholar
  16. H. O’Daniel and L. Tscheischwili, Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem. 104, 124 (1942).
    Google Scholar
  17. H. Strunz and E. H. Nickel, Strunz Mineralogical Tables: Chemical-Structural Mineral Classification System, 9th ed. (Schweizerbart, Stuttgart, 2001).
    Google Scholar
  18. D. N. Smith, A. Majumbar, and F. Ordway, Acta Crystallogr. 18, 767 (1965).
    Google Scholar
  19. R. Czaya, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 27, 848 (1971).
    Article Google Scholar
  20. S. Udagawa, K. Urabe, and T. Yano, Cem. Concr. Res. 10, 139 (1980).
    Article Google Scholar
  21. V. M. Gazeev, A. E. Zadov, et al., Vestn. Vladikavkaz. Nauchn. Tsentra 6(1), 18 (2006).
    Google Scholar
  22. A. E. Zadov, V. M. Gazeev, N. N. Pertsev, et al., Dokl. Akad. Nauk 419 (2008) [Dokl. Earth Sci. (2008)] (in press).
  23. J. Schneider, in Proceedings of the International Workshop on the Rietveld Method, Petten, The Netherlands, 1989, p. 71.
  24. Y.-S. Dai and J. E. Post, Am. Mineral. 80, 841 (1995).
    Google Scholar
  25. K. Tsukimura, Y. Kanazawa, M. Aoki, and M. Bunno, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 49, 205 (1993).
    Article Google Scholar
  26. G. O. Nechiporenko, G. V. Sokolova, T. A. Zibrova, and G. P. Bondarenko, Mineral. Zh. 10(1), 78 (1988).
    Google Scholar
  27. EMU Notes in Mineral, Vol. 1: Modular Aspects of Minerals, Ed. by S. Merlino (Eötvös University Press, Budapest, 1997), Chap. 1, p. 29.
    Google Scholar
  28. K. Fujino, S. Sasaki, Y. Takeuchi, and R. Sadanaga, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 37, 513 (1981).
    Article Google Scholar

Download references

Author information

Authors and Affiliations

  1. Lomonosov Moscow State University, Leninskie gory, Moscow, 119992, Russia
    E. R. Gobechiya & N. A. Yamnova
  2. Scientific and Production Enterprise OOO “NPP Teplokhim,”, Altuf’evskoe sh. 43/5, Moscow, 127410, Russia
    A. E. Zadov
  3. Institute of Geology of Ore Deposits, Petrography, Mineralogy, and Geochemistry (IGEM), Russian Academy of Sciences, Staromonetnyĭ per. 35, Moscow, 109017, Russia
    V. M. Gazeev

Authors

  1. E. R. Gobechiya
    You can also search for this author inPubMed Google Scholar
  2. N. A. Yamnova
    You can also search for this author inPubMed Google Scholar
  3. A. E. Zadov
    You can also search for this author inPubMed Google Scholar
  4. V. M. Gazeev
    You can also search for this author inPubMed Google Scholar

Corresponding author

Correspondence toE. R. Gobechiya.

Additional information

Original Russian Text © E.R. Gobechiya, N.A. Yamnova, A.E. Zadov, V.M. Gazeev, 2008, published in Kristallografiya, 2008, Vol. 53, No. 3, pp. 437–441.

Rights and permissions

About this article

Cite this article

Gobechiya, E.R., Yamnova, N.A., Zadov, A.E. et al. Calcio-olivine γ-Ca2SiO4: I. Rietveld refinement of the crystal structure.Crystallogr. Rep. 53, 404–408 (2008). https://doi.org/10.1134/S1063774508030073

Download citation

PACS numbers