A new type of copper-oxide cluster in the crystal structure of NaCu12(Si2O7)4Cl, a new representative of the alkali copper disilicate family

Capa

Citar

Texto integral

Acesso aberto Acesso aberto
Acesso é fechado Acesso está concedido
Acesso é fechado Somente assinantes

Resumo

A new compound NaCu12(Si2O7)4Cl was synthesized by chemical deposition from gases. Using X-ray diffraction analysis, its crystal structure was established as containing 0-dimensional copper-oxide clusters Cu12O24 of a new type, which can be described as a truncated tetragonal bipyramid built from CuO4 square groups connected by sharing common edges and vertices. The complexes are combined through the Si2O7 disilicate groups into a three-dimensional electroneutral framework [[Cu12(Si2O7)4]0, built on the principle of the bcc grid (body-centered cubic lattice). In the cavities of the framework disordered Na+ and Cl– ions are located. The structure of the 12-nucleated copper-oxide clusters is similar to those of the CunO2n polyoxocuprates found in various minerals and inorganic compounds.

Texto integral

Acesso é fechado

Sobre autores

I. Kornyakov

Kola Science Centre, Russian Academy of Sciences; St. Petersburg State University

Email: s.krivovichev@ksc.ru

Nanomaterials Research Centre, Kola Science Centre, Russian Academy of Sciences; Institute of Earth Sciences, St. Petersburg State University

Rússia, Apatity; St. Petersburg

S. Krivovichev

Kola Science Centre, Russian Academy of Sciences; St. Petersburg State University

Autor responsável pela correspondência
Email: s.krivovichev@ksc.ru

Nanomaterials Research Centre, Kola Science Centre, Russian Academy of Sciences; Institute of Earth Sciences, St. Petersburg State University

Rússia, Apatity; St. Petersburg

Bibliografia

  1. Shores M.P., Nytko E.A., Bartlett B.M. et al. // J. Am. Chem. Soc. 2005. V. 127. P. 13462. https://doi.org/10.1021/ja053891p
  2. Janson O., Tsirlin A.A., Schmitt M. et al. // Phys. Rev. B. 2010. V. 82. P. 014424. https://doi.org/10.1103/PhysRevB.82.014424
  3. Botana A.S., Zheng H., Lapidus S.H. et al. // Phys. Rev. B. 2018. V. 98. P. 054421. https://doi.org/10.1103/PhysRevB.98.054421
  4. Luo M., Li Z.-M., Qui J.-J. et al. // Res. Chem. Intermed. 2014. V. 40. P. 2895. https://doi.org/10.1007/s11164-013-1136-x
  5. Smurova L.A., Sorokina O.N., Kovarskii A.L. // Pet. Chem. 2017. V. 57. P. 1115. https://doi.org/10.1134/S0965544117100152
  6. Elakkiya V., Agarwal Y., Sumathi S. // Solid State Sci. 2018. V. 82. P. 92. https://doi.org/10.1016/j.solidstatesciences.2018.06.008
  7. Deng Z., Wang Z., Zhang P. et al. // Enzyme Microb. Technol. 2019. V. 126. P. 62. https://doi.org/10.1016/j.enzmictec.2019.03.007
  8. Wang P., Yuan Y., Xu K. et al. // Bioact. Mater. 2021. V. 6. P. 916. https://doi.org/10.1016/j.bioactmat.2020.09.017
  9. Корняков И.В. Синтез и кристаллохимия новых минералоподобных соединений двухвалентной меди. Дис. … канд. геол.-минерал. наук. СПб.: СПбГУ, 2021.
  10. Kornyakov I.V., Shilovskikh V.V., Bocharov V.N. et al. // Inorg. Chem. Commun. 2023. V. 157. P. 111435. https://doi.org/10.1016/j.inoche.2023.111435
  11. Rigaku Oxford Diffraction, CrysAlisPro Software System, version 42.102a. Rigaku Oxford Diffraction, Yarnton, England, 2023.
  12. Sheldrick G.M. // Acta Cryst. A. 2015. V. 71. P. 3. https://doi.org/10.1107/S2053273314026370
  13. Sheldrick G.M. // Acta Cryst. C. 2015. V. 71. P. 3. https://doi.org/10.1107/S2053229614024218
  14. Dolomanov O.V., Bourhis L.J., Gildea R.J. et al. // J. Appl. Cryst. 2009. V. 42. P. 339. https://doi.org/10.1107/S0021889808042726
  15. Gagné O.C., Hawthorne F.C. // Acta Cryst. B. 2015. V. 71. P. 562. https://doi.org/10.1107/S2052520615016297
  16. Brese N.E., O’Keeffe M. // Acta Cryst. B. 1991. V. 47. P. 192. https://doi.org/10.1107/S0108768190011041
  17. The Cambridge Crystallographic Data Centre (CCDC). Inorganic Crystal Structure Data Base – ICSD. https://www.ccdc.cam.ac.uk/, http://www.fizkarlsruhe.de
  18. Pennington W.T. // J. Appl. Cryst. 1999. V. 32. P. 1028. https://doi.org/10.1107/S0021889899011486
  19. Blatov V.A., Shevchenko A.P., Proserpio D.M. // Cryst. Growth Des. 2014. V. 14. P. 3576. https://doi.org/10.1021/cg500498k
  20. Krivovichev S.V., Filatov S.K., Vergasova L.P. // Miner. Petrol. 2012. V. 107. P. 235. https://doi.org/10.1007/s00710-012-0238-2.
  21. Krivovichev S.V. // CrystEngComm. 2024. V. 26. P. 1245.
  22. Shuvalov R.R., Vergasova L.P., Semenova T.F. et al. // Am. Mineral. 2013. V. 98. P. 463.
  23. Möller A. // Z. Anorg. Allg. Chem. 1998. V. 624. P. 1085. https://doi.org/10.1002/(SICI)1521-3749(199807)624:7<1085::AID-ZAAC1085>3.0.CO;2-J
  24. Möller A. // Z. Anorg. Allg. Chem. 1997. 1997. V. 623. P. 1685. https://doi.org/10.1002/zaac.19976231102
  25. Kawamura K., Kawahara A., Iiyama J.T. // Acta Cryst. B. 1978. V. 34. P. 3181. https://doi.org/10.1107/S0567740878010444
  26. dos Santos A.M., Brandão P., Fitch A. et al. // J. Solid State Chem. 2007. V. 180. P. 16. https://doi.org/10.1016/j.jssc.2006.09.012
  27. Krivovichev S.V. // Mineral. Mag. 2013. V. 77. P. 275. https://doi.org/10.1180/minmag.2013.077.3.05
  28. Krivovichev S.V., Krivovichev V.G. // Acta Cryst. A. 2020. V. 76. P. 429. https://doi.org/10.1107/S2053273320004209
  29. Kondinski A., Monakhov K.Y. // Chem. Eur. J. 2017. V. 23. P. 7841. https://doi.org/10.1002/chem.201605876
  30. Krivovichev S.V. // Acta Cryst. B. 2020. V. 76. P. 618.
  31. Effenberger H., Giester G., Krause W. et al. // Am. Mineral. 1998. V. 83. P. 607.
  32. Hawthorne F.C., Groat L.A. // Mineral. Mag. 1986. V. 50. P. 157.
  33. Cooper M.A., Hawthorne F.C. // Can. Mineral. 2000. V. 38. P. 801.
  34. Giuseppetti G., Mazzi F., Tadini C. // N. Jb. Miner. Mh. 1992. B. 1992. S. 113.

Arquivos suplementares

Arquivos suplementares
Ação
1. JATS XML
Baixar
2. Fig. 1. Island complex of CuO4 squares (a), the mode of attachment of disilicate groups to the copper-oxygen complex (b) and the crystal structure of NaCu12(Si2O7)4Cl (c). Ellipsoids of thermal displacements of atoms are shown at the 50% probability level.

Baixar (291KB)
Metadados
3. Fig. 2. Difference maps of electron density in cavities inside the copper-oxygen complex (a) and between disilicate groups (b).

Baixar (188KB)
Metadados
4. Fig. 3. Types of polyoxocuprate clusters observed in the structures: a – NaCu12(Si2O7)4Cl, b – chertnerite, c – boleite, d – kumengeite. Oxygen atoms are indicated by balls, copper squares are shown.

Baixar (113KB)
Metadados

Declaração de direitos autorais © Russian Academy of Sciences, 2025