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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) December 14, 2018

An average structure model of the intermediate phase between sodalite and cancrinite

  • Hilke Petersen , Haishuang Zhao , Lars Robben EMAIL logo , Ute Kolb and Thorsten M. Gesing

Abstract

Powder samples of the intermediate phase between sodalite and cancrinite (INT) have been synthesized hydrothermally. The formation of the INT phase was proved by both PXRD and TGA analysis and its stoichiometric composition was found to be |Na6.95(1)(CO3)0.48(2) (H2O)6.18(6)|[AlSiO4]6. The comparison of the intensity ratios of PXRD data with a SCXRD measurement indicates the formation of a comparable phase with the typical strong stacking disorder. The hexagonal lattice parameters with a=1266.3(2) pm and c=1586(1) pm and the unit cell setting were determined by Pawley fits. The average lattice and the stacking disorder along c axis could be confirmed by the reconstruction of three-dimensional ADT data. The average structure of INT was modeled considering only the combination of naturally existing (zeolitic) cages, restricted by the actual number of layers per unit cell. The possible combinations were further reduced by considering the amount of incorporated species. Through the comparison of simulated electron diffraction pattern to measured data the modeled framework could be confirmed. Using relative positions of the incorporated species in the natural cages as well as electron densities calculated by using only the framework of INT the positions of these species could be described.

Acknowledgements

The authors are very thankful to J.-C. Buhl for providing INT single crystals used in this work and to C. Weidenthaler and J. Ternieden (Max-Planck-Institut für Kohlenforschung) for providing PXRD data in a time of need. We gratefully acknowledge the German science foundation (DFG) for support in the large facility program; project numbers INST144/435-1 FUGG and INST144/458-1 FUGG. Haishuang Zhao is grateful to the financial support from Carl-Zeiss-Stiftung. The authors thank the two anonymous reviewers for their comments, which greatly improved the paper.

References

[1] G. Hermeler, J. Buhl, W. Hoffmann, Catal. Today1991, 8, 415.10.1016/0920-5861(91)87020-NSearch in Google Scholar

[2] E. Bonaccorsi, S. Nazzareni, Z. Kristallogr. – Cryst. Mater.2015, 230, 345.10.1515/zkri-2014-1819Search in Google Scholar

[3] R. X. Fischer, W. H. Baur, Z. Kristallogr.2009, 224, 185.10.1524/zkri.2009.1147Search in Google Scholar

[4] H. Petersen, L. Robben, M. Šehović, T. M. Gesing, Microp. Mesopor. Mater.2017, 242, 144.10.1016/j.micromeso.2017.01.019Search in Google Scholar

[5] T. M. Gesing, J.-C. C. Buhl, Z. Kristallogr. NCS2003, 218, 275.10.1524/ncrs.2003.218.3.275Search in Google Scholar

[6] M. M. Murshed, T. M. Gesing, Z. Kristallogr.2007, 222, 341.10.1524/zkri.2007.222.7.341Search in Google Scholar

[7] D. Taylor, C. M. B. Henderson, Phys. Chem. Miner.1978, 2, 325.10.1007/BF00307575Search in Google Scholar

[8] M. T. Weller, J. Chem. Soc. Dalton. Trans.2000, 4227.10.1039/b003800hSearch in Google Scholar

[9] R. M. Barrer, D. E. W. Vaughan, J. Phys. Chem. Solids1971, 32, 731.10.1016/S0022-3697(71)80413-4Search in Google Scholar

[10] G. D. Gatta, D. Comboni, M. Alvaro, P. Lotti, F. Cámara, M. C. Domeneghetti, Phys. Chem. Miner.2014, 41, 373.10.1007/s00269-014-0656-2Search in Google Scholar

[11] I. Hassan, Can. Mineral.1996, 60, 949.Search in Google Scholar

[12] G. D. Ventura, G. D. Gatta, G. J. Redhammer, F. Bellatreccia, A. Loose, G. C. Parodi, Phys. Chem. Miner.2009, 36, 193.10.1007/s00269-008-0269-8Search in Google Scholar

[13] G. D. Gatta, P. Lotti, Am. Mineral.2016, 101, 253.10.2138/am-2016-5282Search in Google Scholar

[14] P. Lotti, Cancrinite-Group Minerals at Non-Ambient Conditions: A Model of the Elastic Behavior and Structure Evolution, 2013.Search in Google Scholar

[15] E. Bonaccorsi, P. Ballirano, F. Cámara, Microp. Mesopor. Mater.2012, 147, 318.10.1016/j.micromeso.2011.06.033Search in Google Scholar

[16] H. Petersen, L. Robben, T. M. Gesing, Microp. Mesopor. Mater.2019, 274, 94.10.1016/j.micromeso.2018.07.040Search in Google Scholar

[17] E. A. Pobedimskaya, L. E. Terent’eva, A. N. Saphozhinkov, A. A. Kashaev, G. I. Dorokhova, Sov. Phys. Dokl.1991, 36, 553.Search in Google Scholar

[18] P. Ballirano, S. Merlino, E. Bonaccorsi, Can. Mineral.1996, 34, 1021.Search in Google Scholar

[19] P. Ballirano, E. Bonaccorsi, A. Maras, S. Merlino, Eur. J. Miner.1997, 9, 21.10.1127/ejm/9/1/0021Search in Google Scholar

[20] P. Ballirano, E. Bonaccorsi, A. Maras, S. Merlino, Can. Mineral.2000, 38, 657.10.2113/gscanmin.38.3.657Search in Google Scholar

[21] R. K. Rastsvetaeva, N. V Chukanov, A. G. Ivanova, Crystallogr. Reports2009, 54, 195.10.1134/S1063774509020060Search in Google Scholar

[22] K. A. Rozenberg, A. N. Sapozhnikov, R. K. Rastsvetaeva, N. B. Bolotina, A. A. Kashaev, Crystallogr. Reports2004, 49, 635.10.1134/1.1780629Search in Google Scholar

[23] E. Bonaccorsi, P. Orlandi, Eur. J. Mineral.2003, 15, 1019.10.1127/0935-1221/2003/0015-1019Search in Google Scholar

[24] F. Cámara, F. Bellatreccia, G. Della Ventura, A. Mottana, Eur. J. Mineral.2005, 17, 839.10.1127/0935-1221/2005/0017-0839Search in Google Scholar

[25] E. Bonaccorsi, Microp. Mesopor. Mater.2004, 73, 129.10.1016/j.micromeso.2004.05.007Search in Google Scholar

[26] F. Cámara, F. Bellatreccia, G. Della Ventura, A. Mottana, L. Bindi, M. E. Gunter, M. Sebastiani, Am. Mineral.2010, 95, 472.10.2138/am.2010.3279Search in Google Scholar

[27] F. Cámara, F. Bellatreccia, G. Della Ventura, M. E. Gunter, M. Sebastiani, A. Cavallo, Am. Mineral.2012, 97, 1494.10.2138/am.2012.4033Search in Google Scholar

[28] K. Hackbarth, T. Gesing, M. Fechtelkord, F. Stief, J. Buhl, Microp. Mesopor. Mater.1999, 30, 347.10.1016/S1387-1811(99)00046-3Search in Google Scholar

[29] K. Hackbarth, M. Fechtelkord, J.-C. Buhl, React. Kinet. Catal. Lett.1998, 65, 33.10.1007/BF02475312Search in Google Scholar

[30] C. Grader, J. C. Buhl, Microp. Mesopor. Mater.2013, 171, 110.10.1016/j.micromeso.2012.12.023Search in Google Scholar

[31] J. C. Buhl, Thermochim. Acta1991, 178, 19.10.1016/0040-6031(91)80294-SSearch in Google Scholar

[32] J. C. Buhl, Thermochim. Acta1991, 189, 75.10.1016/0040-6031(91)87101-2Search in Google Scholar

[33] U. Kolb, E. Mugnaioli, T. E. Gorelik, Cryst. Res. Technol.2011, 46, 542.10.1002/crat.201100036Search in Google Scholar

[34] E. Mugnaioli, T. Gorelik, U. Kolb, Ultramicroscopy2009, 109, 758.10.1016/j.ultramic.2009.01.011Search in Google Scholar PubMed

[35] I. Andrusenko, Y. Krysiak, E. Mugnaioli, T. E. Gorelik, D. Nihtianova, U. Kolb, Acta Crystallogr. B2015, 71, 349.10.1107/S2052520615007994Search in Google Scholar PubMed

[36] J. Jiang, J. L. Jorda, J. Yu, L. A. Baumes, E. Mugnaioli, M. J. Diaz-Cabanas, U. Kolb, A. Corma, Science2011, 333, 1131.10.1126/science.1208652Search in Google Scholar PubMed

[37] H. Zhao, Y. Krysiak, K. Hoffmann, B. Barton, L. Molina-Luna, R. B. Neder, H. J. Kleebe, T. M. Gesing, H. Schneider, R. X. Fischer, U. Kolb, J. Solid State Chem.2017, 249, 114.10.1016/j.jssc.2017.02.023Search in Google Scholar

[38] U. Kolb, T. Gorelik, C. Ku, M. T. Otten, D. Hubert, Ultramicroscopy2007, 107, 507.10.1016/j.ultramic.2006.10.007Search in Google Scholar PubMed

[39] D. E. W. W. Vaughan, H. P. Yennawar, A. J. Perrotta, A. J. Benesi, Microp. Mesopor. Mater.2009, 123, 274.10.1016/j.micromeso.2009.04.021Search in Google Scholar

[40] P. Krishna, D. Pandey, Close-Packed Structures, 2001st ed., University College, Cardiff Press, Wales University College, Cardiff, 1981.Search in Google Scholar

[41] T. Proffen, R. B. Neder, J. Appl. Crystallogr.1997, 30, 171.10.1107/S002188989600934XSearch in Google Scholar

[42] Materials Studio. Accelrys Software Inc., San Diego, 2009.Search in Google Scholar

[43] P. Oleynikov, Cryst. Res. Technol.2011, 46, 569.10.1002/crat.201100052Search in Google Scholar

[44] Y. I. Smolin, Y. F. Shepelev, I. K. Butikova, I. B. Kobyakov, Kristallografiya1981, 26, 63.Search in Google Scholar

[45] S. V Krivovichev, Microp. Mesopor. Mater.2013, 171, 223.10.1016/j.micromeso.2012.12.030Search in Google Scholar


Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2018-2114).


Received: 2018-07-04
Accepted: 2018-11-28
Published Online: 2018-12-14
Published in Print: 2019-05-27

©2019 Walter de Gruyter GmbH, Berlin/Boston

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