Abstract
Manaevite-(Ce), a new vesuvianite-group mineral has been investigated by means of electron microprobe, TGA and DSC and CHN analysis of H2O, powder X-ray diffraction, single-crystal X-ray structure analysis, 139La NMR, 57Fe Mössbauer spectroscopy, IR spectroscopy and optical measurements. Tetragonal unit-cell parameters are a = 15.9247(13) Å, c = 11.9661(10) Å, space group P4/nnc. The structure model was solved and refined to R1 = 3.35% for 1757 independent observed reflections with I > 4σ(I). Manaevite-(Ce) is the first vesuvianite-group mineral with the species-defining role of REE3+ at the X3 site. The mineral contains two different kinds of hydroxyl anions. The first type of hydroxyl groups is associated with the O10 and O11 sites as observed for other vesuvianite-group members. Another type of OH groups is due to the hydrogarnet substitution (H4O4)4‒ ↔ (SiO4) 4‒ associated with the Z1 and Z2 sites. The incorporation of REE3+ into the crystal structure of manaevite-(Ce) proceeds via the substitution schemes 2Ca2+ ↔ Th4+ + □ and 3Ca2+ ↔ 2REE3+ + □, which results in the formation of vacancies at the X3 site and the presence of H2O molecules.
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Acknowledgements
Thomas Armbruster and nonymous referee are thanked for critical reviews and helpful comments. This work was supported by the Russian Science Foundation (Grant No. 19-17-00038). The experimental studies were carried out using resources of the X-ray Diffraction Centre, Geo Environmental Centre “Geomodel” and Centre for Magnetic Resonance of St. Petersburg State University.
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Moiseev, M.M., Panikorovskii, T.L., Aksenov, S.M. et al. Insights into crystal chemistry of the vesuvianite-group: manaevite-(Ce), a new mineral with complex mechanisms of its hydration. Phys Chem Minerals 47, 18 (2020). https://doi.org/10.1007/s00269-020-01086-7
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DOI: https://doi.org/10.1007/s00269-020-01086-7