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

doi:10.2113/gscanmin.43.3.1043

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

Earth and Planetary Sciences

Research output: Contribution to journal › Article › peer-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: (Ca_0.9Mn_0.1²⁺) (Fe_0.83²⁺Fe_0.17³⁺) (Fe_0.17²⁺Fe_0.83³⁺) (Mn_0.51²⁺Fe_0.49²⁺) (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 language	English (US)
Pages (from-to)	1043-1053
Number of pages	11
Journal	Canadian Mineralogist
Volume	43
Issue number	3
DOIs	https://doi.org/10.2113/gscanmin.43.3.1043
State	Published - 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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@article{d102b976ebe34b88a4e582fd766e69bd,

title = "Structure and cation order in manganilvaite: A combinedd X-ray-diffraction, neutron-diffraction and M{\"o}ssbauer study",

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) {\AA}, β 90.167(1)°, V 674.28(7) {\AA}3, 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 M{\"o}ssbauer spectroscopy.",

keywords = "Bulgaria, Combined X-ray and neutron powder diffraction, Manganilvaite, M{\"o}ssbauer spectroscopy, Ossikovo mine, Rietveld refinement, Single-crystal X-ray diffraction",

author = "Nikolay Zotov and Winfried Kockelmann and Jacobsen, {Steven D.} and Ivan Mitov and Daniela Paneva and Vassileva, {Rossitsa D.} and Bonev, {Ivan K.}",

year = "2005",

month = jun,

doi = "10.2113/gscanmin.43.3.1043",

language = "English (US)",

volume = "43",

pages = "1043--1053",

journal = "Canadian Mineralogist",

issn = "0008-4476",

publisher = "Mineralogical Association of Canada",

number = "3",

}

Structure and cation order in manganilvaite : A combinedd X-ray-diffraction, neutron-diffraction and Mössbauer study. / Zotov, Nikolay; Kockelmann, Winfried; Jacobsen, Steven D.; Mitov, Ivan; Paneva, Daniela; Vassileva, Rossitsa D.; Bonev, Ivan K.

In: Canadian Mineralogist, Vol. 43, No. 3, 06.2005, p. 1043-1053.

Research output: Contribution to journal › Article › peer-review

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

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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 -