Defect crystal structure of α-Na0.5–xR0.5+xF2+2x (R = Dy–Lu, Y) on X-Ray and electron diffraction data. II. Defect structure of the α-Na0.4R0.6F2.2 (R = Ho–Lu, Y) nanostructured crystals

Мұқаба

Дәйексөз келтіру

Толық мәтін

Ашық рұқсат Ашық рұқсат
Рұқсат жабық Рұқсат берілді
Рұқсат жабық Тек жазылушылар үшін

Аннотация

The α-Na0.4R0.6F2.2 crystals (R = Ho–Lu, Y) were 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 contained Na+ and R3+ in a ratio of 1 : 1. Part of the matrix anions was shifted from 8c to 32f position (sp. gr. Fm3m). Excess R3+ cations formed with Na+ octa-cubic clusters with nuclei in the form of cuboctahedra {F12} formed by interstitial anions at the 48i position. The α-Na0.4R0.6F2.2 cluster component was formed by octa-cubic clusters of type i. The electron diffraction method showed that the clusters had the shape of plates about 5 nm thick with superstructural ordering. Their structural model based on the K0.265Gd0.735F2.47 structure was proposed. For the first time, experimental confirmation of the affiliation of α-Na0.5–xR0.5+xF2+2x to nanostructured crystals was obtained by electron diffraction. When the temperature decreases from 293 to 85 K, the type of cluster component of the defect α-Na0.4R0.6F2.2 structure with R = Ho–Lu, and Y was not change. At 293 K, the boundary of the type change of the defect structure in the α-Na0.5–xR0.5+xF2+2x series was located between R = Dy (with the Z = 66 atomic number) and Ho (with Z = 67). When the temperature drops from 293 to 85 K, the position of the boundary was not change.

Толық мәтін

Рұқсат жабық

Авторлар туралы

E. Sulyanova

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics of NRC “Kurchatov Institute”

Хат алмасуға жауапты Автор.
Email: sulyanova.e@crys.ras.ru
Ресей, Moscow

B. Sobolev

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics of NRC “Kurchatov Institute”

Email: sulyanova.e@crys.ras.ru
Ресей, Moscow

V. Nikolaichik

Institute of Microelectronics Technology and High Purity Materials RAS

Email: sulyanova.e@crys.ras.ru
Ресей, Moscow Region, Chernogolovka

A. Avilov

Shubnikov Institute of Crystallography of Kurchatov Complex of Crystallography and Photonics of NRC “Kurchatov Institute”

Email: sulyanova.e@crys.ras.ru
Ресей, Moscow

Әдебиет тізімі

  1. Сульянова Е.А., Соболев Б.П., Николайчик В.И. и др. // Кристаллография. 2024. Т. 69. № 5. С. 772. https://doi.org/10.31857/S0023476124050036
  2. Sulyanova E.A., Sobolev B.P. // CrystEngComm. 2022. V. 24. P. 3762. https://doi.org/10.1039/D2CE00280A
  3. Sulyanova E.A., Sobolev B.P. // J. Phys. Chem. C. 2024. V. 128. № 10. P. 4200. https://doi.org/10.1021/acs.jpcc.3c08137
  4. Соболев Б.П., Минеев Д.А., Пашутин В.П. // Докл. АН СССР. 1963. Т. 150. № 4. С. 791.
  5. Liu Y., Lu Y., Yang X. et al. // Nature. 2017. V. 543. P. 229. https://doi.org/10.1038/nature21366
  6. Oleksa V., Mackova H., Engstova H. et al. // Sci. Rep. 2021. V. 11. P. 21273. https://doi.org/10.1038/s41598-021-00845-y
  7. Chen G., Shen j., Ohulchanskyy T.Y. et al. // ACS Nano. 2012. V. 6. № 9. P. 8280. https://doi.org/10.1021/nn100457j
  8. Tan M., del Rosal B., Zhang Y. et al. // Nanoscale. 2018. V. 10. P. 17771. https://doi.org/10.1039/C8NR02382D
  9. Quintanilla M., Hemmer E., Marques-Hueso J. et al. // Nanoscale. 2022. V. 14. P. 1492. https://doi.org/10.1039/d1nr06319g
  10. Pontonnier L., Patrat G., Aleonard S. et al. // Solid State Ionics. 1983. V. 9–10. № 1. P. 549. https://doi.org/10.1016/0167-2738(83)90293-X
  11. Pontonnier L. Relations entre la Structure et les Proprietés de Conductivite Ionique des Solutions Solides à Structure Fluorine Excendentaire en Anions Na0.5–xY0.5+xF2+2x. These. Grenoble, 1985. 196 p.
  12. Pontonnier L., Aleonard S., Roux M.T. // J. Solid State Chem. 1987. V. 69. № 1. P. 10. https://doi.org/10.1016/0022-4596(87)90003-X
  13. Pontonnier L., Patrat G., Aleonard S. // J. Solid State Chem. 1990. V. 87. № 1. P. 124. https://doi.org/10.1016/0022-4596(90)90073-7
  14. Журова Е.А., Максимов Б.А., Халл С. и др. // Кристаллография. 1997. Т. 42. № 2. С. 277.
  15. Otroshchenko L.P., Fykin L.E., Bystrova A.A. et. al. // Crystallography Reports. 2000. V. 45. № 6. P. 926.
  16. Кривандина Е.А., Быстрова А.А., Соболев Б.П. и др. // Кристаллография. 1992. Т. 37. № 6. С. 1523.
  17. Sobolev B.P. Multicomponent Crystals Based on Heavy Metal Fluorides for Radiation Detectors. Barcelona: Institut d’Estudis Catalans, 1994. 265 p.
  18. Petricek V., Palatinus L., Plášil J., Dusek M. // Z. Kristallogr. 2023. V. 238. № 7–8. P. 271. https://doi.org/10.1515/zkri-2023-0005
  19. Becker P.J., Coppens P. // Acta Cryst. A. 1974. V. 30. P. 129. https://doi.org/10.1107/S0567739474000337
  20. International Tables for Crystallography V.C. / Ed. Wilson A.J.C. Dordrecht; Boston; London: Kluwer Acad. Publ., 1992.
  21. Соболев Б.П., Голубев А.М., Эрреро П. // Кристаллография. 2003. Т. 48. № 1. С. 148.
  22. Казанский С.А. // Письма в ЖЭТФ. 1983. Т. 38. № 9. P. 430.
  23. Aleonard S., Guitel J.C., Roux M. Th. // J. Solid State Chem. 1978. V. 24. P. 331. https://doi.org/10.1016/0022-4596(78)90024-5
  24. Aleonard S., Guitel J.C., Le FurY. et al. // Acta Cryst. B. 1976. V. 32. № 12. P. 3227. https://doi.org/10.1107/S0567740876010005
  25. Мурадян Л.А., Максимов Б.А., Симонов В.И. // Координац. химия. 1986. Т. 12. № 10. С. 1398.
  26. Le Fur Y., Khaidukov N.M., Aleonard S. // Acta Cryst. C. 1992. V. 48. P. 978. https://doi.org/10.1107/S010827019101394X
  27. Grzechnik A., Khaidukov N., Friesec K. // Dalton Trans. 2013. V. 42. P. 441. https://doi.org/10.1039/C2DT31483E
  28. Sobolev B.P., Sulyanova E.A. // Int. J. Mol. Sci. 2023. V. 24. № 23. P. 17013. https://doi.org/10.3390/ijms242317013
  29. Le Fur Y., Aleonard S., Gorius M.F. et al. // Z. Kristallogr. 1988. V. 182. P. 281. https://doi.org/10.1524/zkri.1988.182.14.281
  30. Maksimov B.A., Solans Kh., Dudka A.P. et al. // Crystallography Reports. 1996. V. 41. P. 56.
  31. Achary S.N., Patwe S.J., Tyagi A.K. // Powder Diffr. 2002. V. 17. № 3. P. 225. https://doi.org/10.1154/1.1477198
  32. Сульянова Е.А., Молчанов В.Н., Верин И.А. и др. // Кристаллография. 2009. Т. 54. № 3. С. 554. https://doi.org/10.1134/S1063774509030249
  33. Сульянова Е.А., Верин И.А., Соболев Б.П. // Кристаллография. 2012. Т. 57. № 1. С. 79. https://doi.org/10.1134/S1063774512010130
  34. Федоров П.П., Александров В.Б., Бондарева О.С. и др. // Кристаллография. 2001. Т. 46. № 2. С. 280.
  35. Gleiter H. // Acta Mater. 2000. V. 48. P. 1. https://doi.org/10.1016/S1359-6454(99)00285-2
  36. Vogt T. // Neues Jahrb. Mineral. 1914. V. 2. № 1. P. 9.
  37. Goldschmidt V.M., Barth T., Lunde G. et al. Geochemische Verteilungsgesetze der Elemente. Part VII. Die Gesetze der Chrysatllochemie; Jacob Dybwad, Kristiania: Oslo, 1926. V. 7. P. 1.
  38. Александров В.Б., Гарашина Л.С. // Докл. АН СССР. 1969. Т. 189. № 2. С. 307.
  39. Cheetham A.K., Fender B.E.F., Steele D. et al. // Solid State Commun. 1970. V. 8. № 3. P. 171. https://doi.org/10.1016/0038-1098(70)90073-6
  40. Cheetham A.K., Fender B.E.F., Cooper M.J. // J. Phys. C. 1971. V. 4. № 18. P. 3107. https://doi.org/10.1088/0022-3719/4/18/016

Қосымша файлдар

Қосымша файлдар
Әрекет
1. JATS XML
Жүктеу
2. Fig. 1. Difference Fourier maps of the electron density of α-Na0.4R0.6F2.2 with R = Ho (a, d), Er (b, d), Tm (c, e) in the (110) plane at 293 (a–c) and 85 K (d–e).

Жүктеу (378KB)
Метадеректер
3. Fig. 2. Difference Fourier maps of the electron density of α-Na0.4R0.6F2.2 with R = Yb (a, d), Lu (b, d), Y (c, e) in the (110) plane at 293 (a–c) and 85 K (d–e).

Жүктеу (365KB)
Метадеректер
4. Рис. 3. Картины электронной дифракции образца α-Na0.4Yb0.6F2.2, зоны: а – [100], б – [110], в – [111]. Горизонтальными и вертикальными стрелками указаны сверхструктурные относительно флюоритовой ячейки отражения вдоль направлений <100> и <110> соответственно.

Жүктеу (273KB)
Метадеректер
5. Fig. 4. Octahedral-cubic clusters of i- (a), f- (b) and f–i-types (c), as well as a matrix element (m-block) in the structure of nanostructured crystals (d).

Жүктеу (269KB)
Метадеректер

© Russian Academy of Sciences, 2024