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• W2256088969 abstract "Abstract The crystal structure of the spinel-related, Sb mineral tegengrenite from the Filipstad district, Värmland, Sweden, has been solved in the space group R 3 [ a = 16.0285(9), c = 14.8144(8) Å, V = 3296.1(3) Å 3 , Z = 42] and refined up to R = 0.0484 for 3589 reflections with F o > 4σ( F o ). Tegengrenite exhibits a rhombohedrally distorted spinel-type structure with cations occupying 1/8 of the tetrahedral (T) and 1/2 of the octahedral (M) interstices of a nearly regular cubic close-packing of oxygen atoms. Due to the cation ordering, which leads to a complex superstructure with a unit-cell volume of 21/4 that of a common spinel, the M and T sites of the spinel-type structure split into ten and six independent sites, respectively. Chemical composition determined by electron microprobe led to the empirical formula Mg 1.26 Mn 0.85 2+ Zn 0.04 Mn 0.19 3+ Al 0.01 Si 0.12 Ti 0.03 Sb 0.50 5+ O 4 , on the assumption that no vacancies occur in the mineral (Σ cat = 3.00 and Σ charge = 8.00 per formula unit). Crystal-chemical considerations indicate that octahedra are occupied mainly by Mg, Mn 3 + and Sb 5+ (+Al, + Ti), whereas tetrahedra are filled mainly by Mn 2+ and Mg (+Zn) with Si ordered in a specific site. However, the structure refinement shows a low site-scattering factor for one octahedral site, implying substantial vacancies and a larger overall mean Mn valence than stated above. Long mean distances also suggest some Mn 2+ on octahedral sites. Together, these observations necessitate the presence of substantial Mn 3+ on tetrahedral sites." @default.
• W2256088969 created "2016-06-24" @default.
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• W2256088969 date "2015-04-01" @default.
• W2256088969 modified "2023-09-25" @default.
• W2256088969 title "Determination of the tegengrenite superstructure: another case of tetrahedral Mn3+ in spinel-type minerals?" @default.
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• W2256088969 doi "https://doi.org/10.1180/minmag.2015.079.2.19" @default.
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