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.

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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
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article

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

E. А. Sulyanova, Б. П. Соболев, А. С. Авилов, В. И. Николайчик
2 citations
Crystallography Reports
Inorganic Chemistry and Materials
0.32
article

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

E. А. Sulyanova, Б. П. Соболев, А. С. Авилов, В. И. Николайчик
article en
2 citations

Abstract

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.

Crystallography ReportsVol. 69(6)
Kurchatov Institute (RU), A.V. Shubnikov Institute of Crystallography (RU), Institute of Microelectronics Technology and High Purity Materials (RU)
Openalex Percentile: Top 47%
Inorganic Chemistry and Materials
0.32
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