The crystal structure of the Ba-hexacelsian phases doped with Ca2+ and Pb2+

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Document Type : Regular Paper

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1 Institute for technology of nuclear and other mineral raw materials, Franshe D’Epere 86, 11000 Belgrade, Serbia

2 Institute for technology of nuclear and other mineral raw materials, Franshe D’Epere 86, 11000 Belgrade, Serbia

Abstract

The ion-exchange procedure is used for doping the Ba-hexacelsian structure with Ca2+ and Pb2+ cations. The hexacelsian doped with Ca2+ has a composition of Ba0.64Ca0.36Al2Si2O8 and hexacelsian doped with Pb2+ has a composition Ba0.9Pb0.1Al2Si2O8. The crystal structure of both doped hexacelsians was refined by Rietveld refinement procedure. The crystal structure of Ca -hexacelsian is refined in the space group P c1 and results indicate ordering distribution of Si and Al (unit cell parameters is a=5.2995, c=15.594 Å and agreement factors: Rexp= 15.3 Rp=19.9, Rwp=19.0, RB=15.0 RF=4.08). Structural model for Pb-hexacelsian samples is described in the space group P63/mcm with disorder distribution Si/Al (unit cell parameter is a=5.2973, c=15.591 Å and agreement factors Rexp=21.5 Rp=21.5, Rwp=19.0, RB=5.74 RF=4.08). The results of Rietveld refinements indicate that Ca2+ and Pb2+ cations are incorporated into hexacelsiane structure in different position.

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Iranian Journal of Science

Articles in Press, Accepted Manuscript
Available Online from 19 October 2016

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