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• W2755145008 startingPage "827" @default.
• W2755145008 abstract "The crystal structure of the synthetic double carbonate norsethite [BaMg(CO 3 ) 2 ] has been reinvestigated using X-ray diffraction data within the temperature range 100–500 K using a high-sensitivity PILATUS pixel detector. The previously assumed positional shift of the crystallographically unique oxygen atom is confirmed. The shift is associated with a coupled rotation of symmetry-equivalent carbonate groups. It was possible to follow the shift using high-accuracy experiments under varying temperature conditions between 100 K and the critical transition temperature occurring at T c = 363 ± 3 K. The transition of the α-form (space group R {bar 3} c ; below T c ), which represents a superstructure of the β-form (space group R {bar 3} m , with c ′ = c /2; above T c ) was studied in detail. The tricritical order character of this displacive phase transition was verified by tracking the intensities of the recorded superstructure reflections ( l = 2 n + 1) from single-crystal diffraction and using high-precision lattice parameters obtained from powder diffraction in transmission geometry. Thermodynamic properties suggest both rotation of the CO 3 group and a coordination change of the BaO 12 coordination polyhedra as the order parameters driving the temperature-dependent α–β phase transition. Nevertheless, a detailed structural analysis reveals the coordination change of the barium atoms to be the main driving force for the observed transformation." @default.
• W2755145008 created "2017-09-25" @default.
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• W2755145008 date "2017-09-13" @default.
• W2755145008 modified "2023-09-23" @default.
• W2755145008 title "Evolution of the α-BaMg(CO₃)₂low-temperature superstructure and the tricritical nature of its α–β phase transition" @default.
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• W2755145008 doi "https://doi.org/10.1107/s2052520617009295" @default.
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