Defect Crystal Structure of $$\alpha {\text{-N}}{{{\text{a}}}_{{0.5-x}}}{{R}_{{0.5 + x}}}{{{\text{F}}}_{{2 + 2x}}}$$ (R = Dy–Lu, Y) According to X-ray and Electron Diffraction Data. II: Defect Structure of the α-Na0.4R0.6F2.2 (R = Ho–Lu, Y) Nanostruc
The α-Na0.4R0.6F2.2 crystals (R = Ho–Lu, Y) have been studied by X-ray diffraction analysis at 293 and 85 K. A unified cluster model of nanostructured crystals with a fluorite-type structure, based on the polymorphism of KR3F10 (R = Er, Yb), was used to model their defect structure. The α-Na0.4R0.6F2.2 matrix component contains Na+ and R3+ ions in a ratio of 1 : 1. Part of the matrix anions are shifted from the 8c to 32f site (sp. gr. $$Fm\bar {3}m$$ ). Excess R3+ cations form, jointly with Na+, octa-cubic clusters with cores in the form of cuboctahedra {F12}, consisting of interstitial anions at the 48i site. The α-Na0.4R0.6F2.2 cluster component is formed by octa-cubic clusters of type i. The electron diffraction study showed that the clusters are shaped as plates about 5 nm thick with superstructural ordering. Their structural model based on the K0.265Gd0.735F2.47 structure was proposed. Experimental confirmation of the affiliation of $$\alpha {\text{-N}}{{{\text{a}}}_{{0.5-x}}}{{R}_{{0.5 + x}}}{{{\text{F}}}_{{2 + 2x}}}$$ to nanostructured crystals was obtained for the first time by electron diffraction. When temperature decreases from 293 to 85 K, the type of the cluster component of the defect α-Na0.4R0.6F2.2 structure with R = Ho–Lu, Y does not change. At 293 K, the boundary of the change in the defect structure type in the $$\alpha {\text{-N}}{{{\text{a}}}_{{0.5-x}}}{{R}_{{0.5 + x}}}{{{\text{F}}}_{{2 + 2x}}}$$ series is located between R = Dy (Z = 66) and Ho (Z = 67). With a decrease in temperature from 293 to 85 K the position of the boundary does not change.
Authors
- E. А. Sulyanova (ORCID: https://orcid.org/0000-0002-4690-1096)
- Б. П. Соболев (ORCID: https://orcid.org/0000-0002-6655-5549)
- А. С. Авилов
- В. И. Николайчик
Institutions
- Kurchatov Institute (RU)
- A.V. Shubnikov Institute of Crystallography (RU)
- Institute of Microelectronics Technology and High Purity Materials (RU)
Publication Details
- Journal
- Crystallography Reports
- Published
- 2024-12-01
- DOI
- https://doi.org/10.1134/s1063774524602132
- Citations
- 2
- Primary Topic
- Inorganic Chemistry and Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.32