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Variable Temperature Crystal Structure of Cu4TiTe4.
- Source :
-
European Journal of Inorganic Chemistry . 8/23/2023, Vol. 26 Issue 24, p1-7. 7p. - Publication Year :
- 2023
-
Abstract
- A variable temperature single crystal X‐ray diffraction study of the ternary compound, Cu4TiTe4 is reported between 200–400 K. The temperature dependent study indicates the compound undergoes an order‐disorder phase transition at ∼320 K. Below the transition temperature, the phase that crystallizes in the primitive cubic space group P4‾ ${\bar{4}}$ 3 m with lattice parameter of a≈5.9 Å, transforms into the two‐fold superstructure. It is modeled as a fourfold twinned rhombohedral structure. The transition is reversible. To relate the phases, a group‐subgroup symmetry relations are established. Upon decreasing temperature, the atomic ordering is noticed in the occupationally disordered Cu‐sites of Cu4TiTe4. This characteristic structural rearrangement may have a significant impact on the electronic structure of Cu4TiTe4. Hence, the detailed structural characterization is supposed to be useful for further understanding of thermoelectric transport properties in the Cu4TiTe4. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14341948
- Volume :
- 26
- Issue :
- 24
- Database :
- Academic Search Index
- Journal :
- European Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 170079025
- Full Text :
- https://doi.org/10.1002/ejic.202300219