Synthesis and thermoelastic properties of Zr(CN2)2and Hf(CN2)2
| Autor: | Arne Kobald, Carl P. Romao, Hans-Jürgen Meyer, Konstantin Dolabdjian |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Diffraction
Materials science Phonon Analytical chemistry chemistry.chemical_element 02 engineering and technology Crystal structure 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Thermal expansion 0104 chemical sciences Inorganic Chemistry Crystal Thermoelastic damping chemistry Transition metal Lithium 0210 nano-technology |
| Zdroj: | Dalton Transactions. 47:10249-10255 |
| ISSN: | 1477-9234 1477-9226 |
| DOI: | 10.1039/c8dt02001a |
| Popis: | Two binary transition metal cyanamides, Zr(CN2)2 and Hf(CN2)2, were prepared by solid-state metathesis (SSM) reactions and separately controlled by differential thermoanalysis (DTA). The crystal structure of Hf(CN2)2 was solved and refined from a single-phase crystal powder by X-ray diffraction (XRD) in the space group Pbcn. Zr(CN2)2 was characterized by isotypic indexing. The crystal structure of M(CN2)2 compounds with M = Zr, Hf is closely related to that of LiY(CN2)2, but reveals large cavities due to the absence of lithium ions. Hf(CN2)2 exhibits thermoelastic properties characteristic of a flexible framework material. The calculated phonon energies, elastic tensor, and thermal expansion tensor are presented; the volumetric coefficient of thermal expansion is predicted to be near-zero under ambient conditions (αV = −3.5 × 10−6 K−1). |
| Databáze: | OpenAIRE |
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