Structure and cation order in manganilvaite: A combinedd X-ray-diffraction, neutron-diffraction and Mössbauer study

Nikolay Zotov*, Winfried Kockelmann, Steven D. Jacobsen, Ivan Mitov, Daniela Paneva, Rossitsa D. Vassileva, Ivan K. Bonev

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

The crystal structure of manganilvaite, CaFe2+Fe3+ (Mn2+,Fe2+)(Si2O7)O(OH), from the Ossikovo Pb-Zn skarn deposit, Rhodope Mountains, Bulgaria, was refined in space group P21/a, with a 13.0250(7), b 8.8514(5), c 5.8486(3) Å, β 90.167(1)°, V 674.28(7) Å3, Z = 4, using combined neutron and X-ray powder diffraction as well as single-crystal X-ray-diffraction data. The empirical chemical formula proposed on the basis of the Rietveld refinements is: (Ca0.9Mn0.12+) (Fe0.832+Fe0.173+) (Fe0.172+Fe0.833+) (Mn0.512+Fe0.492+) (Si2O7)O(OH). The occupancy of the M11 site (0.83Fe2+ + 0.17Fe3+) corresponds to an order parameter Q of 0.65(10). The high Mn content leads to strong enhancement (14%) of Fe2+ → Fe3+ charge transfer in comparison to Mn-free ilvaite from Seriphos, Greece, as observed by Mössbauer spectroscopy.

Original languageEnglish (US)
Pages (from-to)1043-1053
Number of pages11
JournalCanadian Mineralogist
Volume43
Issue number3
DOIs
StatePublished - Jun 2005

Keywords

  • Bulgaria
  • Combined X-ray and neutron powder diffraction
  • Manganilvaite
  • Mössbauer spectroscopy
  • Ossikovo mine
  • Rietveld refinement
  • Single-crystal X-ray diffraction

ASJC Scopus subject areas

  • Geochemistry and Petrology

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