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Thermal stability of the layered modification of Cu 0.5 ZrTe 2 in the temperature range 25–900 °C
Author(s) -
Shkvarina E. G.,
Titov A. A.,
Shkvarin A. S.,
Plaisier J. R.,
Gigli L.,
Titov A. N.
Publication year - 2018
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229618009841
Subject(s) - octahedron , atmospheric temperature range , crystallography , intercalation (chemistry) , thermal stability , materials science , crystal structure , crystallite , phase transition , phase (matter) , synchrotron , chemistry , condensed matter physics , inorganic chemistry , thermodynamics , optics , physics , organic chemistry
The thermal stability of the layered modification of the Cu 0.5 ZrTe 2 polycrystalline intercalation compound, synthesized at room temperature, has been studied in the temperature range 25–900 °C. A change in the occupation of the octahedral and tetrahedral coordinated sites in the interlayer space of the zirconium ditelluride was observed using in‐situ time‐resolved synchrotron X‐ray powder diffraction experiments. The formation of the rhombohedral CuZr 2 Te 4 phase, which is stable in the temperature range 300–700 °C, has been observed. The copper intercalation at room temperature leads to the formation of a phase in which the Cu atoms occupy only octahedral sites in the interlayer space. At temperatures above the decay temperature of the rhombohedral CuZr 2 Te 4 , a layered phase with Cu atoms uniformly distributed between octahedral and tetrahedral sites in the interlayer space is stable. The changes in the crystal structure independent of temperature are in agreement with the previously proposed model, according to which the stability of the layered or the rhombohedral phase is determined by the entropy factor associated with the distribution of the intercalated atoms between the octahedral and tetrahedral sites in the interlayer space.