Defect Crystal Structure of (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) Nanostructured Crystals.

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Title: Defect Crystal Structure of (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) Nanostructured Crystals.
Authors: Sulyanova, E. A.1 (AUTHOR) sulyanova.e@crys.ras.ru, Sobolev, B. P.1 (AUTHOR), Nikolaichik, V. I.2 (AUTHOR), Avilov, A. S.1 (AUTHOR)
Source: Crystallography Reports. Dec2024, Vol. 69 Issue 6, p804-818. 15p.
Subjects: Crystal defects, Crystal models, Crystal structure, Polymorphism (Crystallography), Electron diffraction
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. ). 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 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 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. [ABSTRACT FROM AUTHOR]
Copyright of Crystallography Reports is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Defect Crystal Structure of (R = Dy–Lu, Y) According to X-ray and Electron Diffraction Data. II: Defect Structure of the α-Na<subscript>0.4</subscript>R<subscript>0.6</subscript>F<subscript>2.2</subscript> (R = Ho–Lu, Y) Nanostructured Crystals.
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  Data: <searchLink fieldCode="JN" term="%22Crystallography+Reports%22">Crystallography Reports</searchLink>. Dec2024, Vol. 69 Issue 6, p804-818. 15p.
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  Data: <searchLink fieldCode="DE" term="%22Crystal+defects%22">Crystal defects</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+models%22">Crystal models</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%22Polymorphism+%28Crystallography%29%22">Polymorphism (Crystallography)</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+diffraction%22">Electron diffraction</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: 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. ). 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 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 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. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Crystallography Reports is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – TitleFull: Defect Crystal Structure of (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) Nanostructured Crystals.
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              Text: Dec2024
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