Calcium fluorosilicate Ca5(SiO4)2F2 from burnt dumps of the Chelyabinsk coal basin (South Urals): crystal chemistry, spectroscopy, thermal behavior

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Abstract

The anthropogenic calcium fluorosilicate “kutyukhinite” Ca5(SiO4)2F2 from burnt dumps of the Chelyabinsk coal basin has been studied by single crystal and powder X-ray diffraction analyses in a wide temperature range. “Kutyukhinite” (P21/a, a = 11.4985(4), b = 5.0535(2), c = 8.7848(3) Å, β = 109.008(4)°, V = 482.63(3) Å3, R1 = 0.0183) is an anthropogenic analogue of kumtyubeite which belongs to the structural type of chondrodite. The empirical formula of “kutyukhinite” is Ca5.02(Si1.99O7.98)F2.04. Upon heating, its crystal structure expands anisotropically, with the direction of maximum thermal expansion close to the direction [100]. The relative change in bond lengths in silicon-oxygen tetrahedra with increasing temperature (27−927°C) is less than 0.6%, which is within the margin of error. At the same time, the relative increase in the average bond length of the varies from 1 () to 1.5% (). The largest relative change of 2% was found for the average bond length .

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About the authors

A. S. Brazhnikova

St. Petersburg State University

Author for correspondence.
Email: st084249@student.spbu.ru
Russian Federation, St. Petersburg

A. A. Zolotarev

St. Petersburg State University

Email: st084249@student.spbu.ru
Russian Federation, St. Petersburg

M. S. Avdontсeva

St. Petersburg State University

Email: st084249@student.spbu.ru
Russian Federation, St. Petersburg

S. V. Krivovichev

St. Petersburg State University; Kola Science Center RAS

Email: st084249@student.spbu.ru
Russian Federation, St. Petersburg; Apatity

M. G. Krzhizhanovskaya

St. Petersburg State University

Email: st084249@student.spbu.ru
Russian Federation, St. Petersburg

V. N. Bocharov

St. Petersburg State University

Email: st084249@student.spbu.ru
Russian Federation, St. Petersburg

N. S. Vlasenko

St. Petersburg State University

Email: st084249@student.spbu.ru
Russian Federation, St. Petersburg

M. A. Rassomakhin

South Urals Federal Research Center of Mineralogy and Geoecology of UB RAS

Email: st084249@student.spbu.ru
Russian Federation, Miass

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Supplementary files

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2. Fig. 1. Segregation of light pink isometric crystals of “kutyukhinite” (1), as well as fine-crystalline segregations of srebrodolskite (2) (No. 066-94).

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3. Fig. 2. Raman spectrum of “kutyukhinite”.

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4. Fig. 3. Projection of the crystal structure of “kutyukhinite” onto the ac plane and the oriented figure of the thermal expansion tensor (a), coordination environment of calcium atoms (b).

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5. Fig. 4. Temperature dependences of the unit cell parameters of “kutyukhinite” (circles – powder X-ray diffraction data, squares – single-crystal X-ray structural analysis).

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