Abstract
The crystal structure of batisite, Na2BaTi2 (Si4O12)O2, from the Inagli massif (Aldan, Yakutia, Russia) was refined to R 1 = 0.032 for 1449 unique observed reflections. The mineral is orthorhombic, Imma, a = 8.0921(5), b = 10.4751(7), c = 13.9054(9) Å, V = 1178.70(13) Å3. The mineral is based upon three-dimensional titanosilicate framework consisting of chains of corner-sharing MO6 octahedra (M = Ti, Nb, Fe and Zr) and vierer chains of corner-sharing SiO4 tetrahedra. Both chains are parallel to the a axis and are linked by sharing peripheral O atoms. The octahedral chains display disorder of M atoms and bridging O sites related to the out-of-center distortion of octahedral geometry around Ti4+ cations. Electron microprobe analysis gives SiO2 39.46, TiO2 24.66, BaO 21.64, Na2O 7.56, K2O 4.38, Fe2O3 0.90, ZrO2 0.66, Nb2O5 0.36, (H2O)calc 0.58, sum 99.76 wt%. The seven strongest X-ray powder-diffraction lines [listed as d in Å (I) hkl] are: 8.39 (94) 011, 3.386 (56) 031, 3.191 (36) 123, 2.910 (46) 222, 2.896 (100) 024, 2.175 (45) 035, 1.673 (57) 055. The thermal behaviour of batisite in the temperature range from 25 to 950 °C was studied using high-temperature powder X-ray diffraction. The thermal expansion coefficients along the principal crystallographic axes are: α a = 14.4 × 10−6, α b = 8.7 × 10−6, α c = 8.4 × 10−6, α V = 31.5 °C−1 for the temperature range 25–500 °C and α a = 19.6 × 10−6, α b = 9.1 × 10−6, α c = 8.8 × 10−6, α V = 37.6 °C−1 for the temperature range 500–900 °C. The direction of maximal thermal expansion is parallel to the chains of both MO6 octahedra and SiO4 tetrahedra, which can be explained by the stretching of silicate chains due to the increasing thermal vibrations of the Ba2+ cations. At 1000 °C, the titanosilicate framework in batisite collapses with the formation of fresnoite, Ba2TiSi2O7O.
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Acknowledgements
We are grateful to Fernando Cámara and an anonymous referee for the detailed useful comments on the manuscript. This work was carried out using facilities of XRD and Geomodel Resource Centers of St. Petersburg State University, and supported by the Foundation of the President of the Russian Federation, grants MK-3296.2015.5 and Nsh-10005.2016.5.
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Zolotarev, A.A., Zhitova, E.S., Gabdrakhmanova, F.A. et al. Batisite, Na2BaTi2(Si4O12)O2, from Inagli massif, Aldan, Russia: crystal-structure refinement and high-temperature X-ray diffraction study. Miner Petrol 111, 843–851 (2017). https://doi.org/10.1007/s00710-017-0497-z
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DOI: https://doi.org/10.1007/s00710-017-0497-z