STRUCTURAL COMPLEXITY OF MOLECULAR, CHAIN, AND LAYERED CRYSTAL STRUCTURES OF NATURAL AND SYNTHETIC ARSENIC SULFIDES

Capa

Citar

Texto integral

Acesso aberto Acesso aberto
Acesso é fechado Acesso está concedido
Acesso é fechado Acesso é pago ou somente para assinantes

Resumo

A ladder-wise calculation scheme has been developed for the structural complexity of heterodesmic crystal structures, with crystal interpreted as a system of contacting molecules, chains, and layers. In the last stage of ladder-wise calculation the structural complexity of the main motif is summed with the complexity of the contacts beyond the main motif in correspondence with the strong additivity rule. The application potential of the scheme is demonstrated, and the calculation results for the crystal structures of natural and synthetic arsenic sulfides are presented. The coordination of molecules and chains that is necessary for calculating the complexity of contacts beyond the main motif is determined by the method of Voronoi–Dirichlet polyhedra.

Sobre autores

D. Banaru

Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, 119334 Russia

Email: banaru@geokhi.ru
Россия, Москва

S. Aksenov

Kola Science Centre, Russian Academy of Sciences, Apatity, Murmansk oblast, 184209 Russia

Email: aks.crys@gmail.com
Россия, Апатиты

N. Yamnova

Moscow State University, Moscow, 119991 Russia

Email: aks.crys@gmail.com
Россия, Москва

A. Banaru

Kola Science Centre, Russian Academy of Sciences, Apatity, Murmansk oblast, 184209 Russia; Moscow State University, Moscow, 119991 Russia

Autor responsável pela correspondência
Email: aks.crys@gmail.com
Россия, Апатиты; Россия, Москва

Bibliografia

  1. Banaru A.M., Aksenov S.M., Krivovichev S.V. // Symmetry (Basel). 2021. V. 13. P. 1399. https://doi.org/10.3390/sym13081399
  2. Krivovichev S.V. // Angew. Chemie – Int. Ed. 2014. V. 53. P. 654. https://doi.org/10.1002/anie.201304374
  3. Batsanov A.S. // Acta Cryst. E. 2018. V. 74. P. 570. https://doi.org/10.1107/S2056989018005339
  4. Spackman M.A., Jayatilaka D. // CrystEngCommun. 2009. V. 11. P. 19. https://doi.org/10.1039/B818330A
  5. Blatov V.A., Shevchenko A.P., Serenzhkin V.N. // Acta Cryst. A. 1995. V. 51. P. 909. https://doi.org/10.1107/S0108767395006799
  6. Blatov V.A. // Cryst. Rev. 2004. V. 10. P. 249. https://doi.org/10.1080/08893110412331323170
  7. Shevchenko A.P., Blatov V.A. // Struct. Chem. 2021. V. 32. P. 507. https://doi.org/10.1007/s11224-020-01724-4
  8. Banaru A.M., Banaru D.A. // J. Struct. Chem. 2020. V. 61. P. 1485. https://doi.org/10.1134/S0022476620100017
  9. Sabirov D.S., Shepelevich I.S. // Entropy. 2021. V. 23. https://doi.org/10.3390/e23101240
  10. Hornfeck W. // Acta Cryst. A. 2020. V. 76. P. 534. https://doi.org/10.1107/S2053273320006634
  11. Banaru A.M., Aksenov S.M. // Symmetry (Basel). 2022. V. 14. P. 220. https://doi.org/10.3390/sym14020220
  12. Banaru D.A., Banaru A.M., Aksenov S.M. // J. Struct. Chem. 2022. V. 63. https://doi.org/10.26902/JSC_id96300
  13. Lloyd S. // IEEE Control Syst. Mag. 2001. V. 21. P. 7. https://doi.org/10.1109/MCS.2001.939938
  14. Nagaraj N., Balasubramanian K. // Eur. Phys. J. Spec. Top. 2017. V. 226. P. 3251. https://doi.org/10.1140/epjst/e2016-60347-2
  15. Zefirov Y.V., Zorky P.M. // Russ. Chem. Rev. 1995. V. 64. P. 415. https://doi.org/10.1070/rc1995v064n05abeh000157
  16. Bader R.F.W. // Acc. Chem. Res. 1985. V. 18. P. 9. https://doi.org/10.1021/ar00109a003
  17. Jabłoński M. // ChemistryOpen. 2019. V. 8. P. 497. https://doi.org/https://doi.org/10.1002/open.201900109
  18. Banaru A.M. // Moscow Univ. Chem. Bull. 2019. V. 74. P. 101. https://doi.org/10.3103/S0027131419030039
  19. van Eijck B.P., Kroon J. // Acta Cryst. B. 2000. V. 56. P. 535. https://doi.org/10.1107/S0108768100000276
  20. Banaru A.M. // Moscow Univ. Chem. Bull. 2009. V. 64. P. 80. https://doi.org/10.3103/S0027131409020023
  21. Belsky V.K., Zorky P.M. // Acta Cryst. A. 1977. V. 33. P. 1004.
  22. Talis A.L., Everstov A.A., Kraposhin V.S., Simich-Lafitskii N.D. // Met. Sci. Heat Treat. 2021. V. 62. P. 725. https://doi.org/10.1007/s11041-021-00629-1
  23. Talis A.L., Kraposhin V.S., Arestov V. // Met. Sci. Heat Treat. 2022. V. 63. P. 618. https://doi.org/10.1007/s11041-022-00738-5
  24. Talis A.L., Kraposhin V.S., Everstov A.A. // Met. Sci. Heat Treat. 2022. V. 64. P. 338. https://doi.org/10.1007/s11041-022-00811-z
  25. Maleev A.V., Gevorgyan A.A., Potekhin K.A. // J. Struct. Chem. 2018. V. 59. P. 455. https://doi.org/10.1134/S0022476618020294
  26. Mackenzie C.F., Spackman P.R., Jayatilaka D., Spackman M.A. // IUCrJ. 2017. V. 4. P. 575. https://doi.org/10.1107/S205225251700848X
  27. Lord E.A., Banaru A.M. // Moscow Univ. Chem. Bull. 2012. V. 67. P. 50. https://doi.org/10.3103/S0027131412020034
  28. Bonazzi P., Bindi L. // Z. Krist. - Cryst. Mater. 2008. V. 223. P. 132. 10.1524/zkri.2008.0011' target='_blank'>https://doi.org/doi: 10.1524/zkri.2008.0011
  29. Gibbs G.V., Wallace A.F., Downs R.T. et al. // Phys. Chem. Mineral. 2011. V. 38. P. 267. https://doi.org/10.1007/s00269-010-0402-3
  30. Blatov V.A., Shevchenko A.P., Proserpio D.M. // Cryst. Growth Des. 2014. V. 14. P. 3576. https://doi.org/10.1021/cg500498k
  31. O’Keeffe M., Peskov M.A., Ramsden S.J., Yaghi O.M. // Acc. Chem. Res. 2008. V. 41. P. 1782. https://doi.org/10.1021/ar800124u
  32. The Samara Topological Data Center “TopCryst,” available at https://topcryst.com/, n.d.
  33. Zorky P.M. // J. Mol. Struct. 1996. V. 374. P. 9.
  34. Madelung O., Rössler U., Schulz M. 2010 http//www.springermaterials.com
  35. Kyono A. // Am. Mineral. 2009. V. 94. P. 451. 10.2138/am.2009.3075' target='_blank'>https://doi.org/doi: 10.2138/am.2009.3075
  36. Lepore G.O., Ballaran T.B., Nestola F. et al. // Mineral. Mag. 2012. V. 76. P. 963. https://doi.org/10.1180/minmag.2012.076.4.12
  37. Kutoglu A. // Z. Anorg. Allg. Chem. 1976. V. 419. P. 176. https://doi.org/https://doi.org/10.1002/zaac.19764190211
  38. Bonazzi P., Menchetti S., Pratesi G. // Am. Mineral. 1995. V. 80. P. 400. https://doi.org/10.2138/am-1995-3-422
  39. Bindi L., Popova V., Bonazzi P. // Can. Mineral. 2003. V. 41. P. 1463. https://doi.org/10.2113/gscanmin.41.6.1463
  40. Bindi L., Bonazzi P. // Am. Mineral. 2007. V. 92. P. 617. 10.2138/am.2007.2332' target='_blank'>https://doi.org/doi: 10.2138/am.2007.2332
  41. Pratesi G., Zoppi M. // Am. Mineral. 2015. V. 100. P. 1222. 10.2138/am-2015-5045' target='_blank'>https://doi.org/doi: 10.2138/am-2015-5045
  42. Gavezzotti A., Demartin F., Castellano C., Campostrini I. // Phys. Chem. Miner. 2013. V. 40. P. 175. https://doi.org/10.1007/s00269-012-0559-z
  43. Bonazzi P., Lepore G.O., Bindi L. // Eur. J. Mineral. 2016. V. 28. P. 147. https://doi.org/10.1127/ejm/2015/0027-2474
  44. Mullen D.J.E., Nowacki W. // Z. Krist. 1972. B. 136. S. 48. 10.1524/zkri.1972.136.1-2.48' target='_blank'>https://doi.org/doi: 10.1524/zkri.1972.136.1-2.48
  45. Brazhkin V.V., Bolotina N.B., Dyuzheva T.I. et al. // CrystEngCommun. 2011. V. 13. P. 2599. https://doi.org/10.1039/C0CE00861C
  46. Bolotina N.B., Brazhkin V.V., Dyuzheva T.I. et al. // JETP Lett. 2014. V. 98. P. 539. https://doi.org/10.1134/S0021364013220025
  47. Siidra O.I., Zenko D.S., Krivovichev S. V // Am. Mineral. 2014. V. 99. P. 817.
  48. Aroyo M.I., Perez-Mato J.M., Orobengoa D. et al. // Bulg. Chem. Commun. 2011. V. 43. P. 183.
  49. McKinnon J.J., Mitchell A.S., Spackman M.A. // Chem. – A Eur. J. 1998. V. 4. P. 2136. https://doi.org/10.1002/(SICI)1521-3765(19981102)4:11<2136::AID-CHEM2136>3.0.CO;2-G
  50. Mckinnon J.J., Mark A., Anthony S. // Acta Cryst. B. 2004. V. 60. P. 627. https://doi.org/10.1107/S0108768104020300
  51. Meyer A.Y. // Chem. Soc. Rev. 1986. V. 15. P. 449. https://doi.org/10.1039/CS9861500449
  52. Jelsch C., Ejsmont K., Huder L. // IUCrJ. 2014. V. 1. P. 119. https://doi.org/10.1107/S2052252514003327
  53. O’Keeffe M., Treacy M.M.J. // Symmetry (Basel). 2022. V. 14. P. 822. https://doi.org/10.3390/sym14040822
  54. Shpotyuk O., Hyla M., Shpotyuk Y. et al. // Comput. Mater. Sci. 2021. V. 198. P. 110715. https://doi.org/https://doi.org/10.1016/j.commatsci.2021.110715
  55. Pidcock E., Motherwell W.D.S., Cole J.C. // Acta Cryst. B. 2003. V. 59. P. 634. https://doi.org/10.1107/S0108768103012278
  56. Carugo O., Blatova O.A., Medrish E.O. et al. // Sci. Rep. 2017. V. 7. P. 1. https://doi.org/10.1038/s41598-017-12699-4
  57. Eon J.G. // Acta Cryst. A. 2016. V. 72. P. 376. https://doi.org/10.1107/S2053273316003867
  58. Krivovichev S.V. // Acta Cryst. B. 2016. V. 72. P. 274. https://doi.org/10.1107/s205252061501906x

Arquivos suplementares

Arquivos suplementares
Ação
1. JATS XML
Baixar
2.

Baixar (223KB)
Metadados
3.

Baixar (805KB)
Metadados
4.

Baixar (940KB)
Metadados
5.

Baixar (20KB)
Metadados
6.

Baixar (533KB)
Metadados
7.

Baixar (59KB)
Metadados
8.

Baixar (27KB)
Metadados
9.

Baixar (211KB)
Metadados
10.

Baixar (793KB)
Metadados
11.

Baixar (756KB)
Metadados

Declaração de direitos autorais © Russian Academy of Sciences, 2023