TY - JOUR
T1 - Structure and cation order in manganilvaite
T2 - A combinedd X-ray-diffraction, neutron-diffraction and Mössbauer study
AU - Zotov, Nikolay
AU - Kockelmann, Winfried
AU - Jacobsen, Steven D.
AU - Mitov, Ivan
AU - Paneva, Daniela
AU - Vassileva, Rossitsa D.
AU - Bonev, Ivan K.
PY - 2005/6
Y1 - 2005/6
N2 - 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.
AB - 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.
KW - Bulgaria
KW - Combined X-ray and neutron powder diffraction
KW - Manganilvaite
KW - Mössbauer spectroscopy
KW - Ossikovo mine
KW - Rietveld refinement
KW - Single-crystal X-ray diffraction
UR - http://www.scopus.com/inward/record.url?scp=24944489710&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=24944489710&partnerID=8YFLogxK
U2 - 10.2113/gscanmin.43.3.1043
DO - 10.2113/gscanmin.43.3.1043
M3 - Article
AN - SCOPUS:24944489710
VL - 43
SP - 1043
EP - 1053
JO - Canadian Mineralogist
JF - Canadian Mineralogist
SN - 0008-4476
IS - 3
ER -