The Crystal Structure of the Ba-Hexacelsian Phases Doped with Ca^sup 2+^ and Pb^sup 2

• Published in: Iranian journal of science and technology. Transaction A, Science Vol. 41; no. 3; pp. 599 - 607
• Main Authors: Radosavljevic-Mihajlovic, A, Radosavljevic, S, Stojanovic, J
• Format: Journal Article
• Language: English
• Published: Shiraz Springer Nature B.V 01.07.2017
• Subjects: Aluminum; Analytical chemistry; Barium; Calcium; Calcium ions; Cations; Composition; Crystal structure; Dielectric properties; Fluorides; Investigations; Ion exchange; Lead; Morphology; Parameters; Polymorphism; Rubidium; Silicon; Unit cell; Zeolites; Ceram
• ISSN: 1028-6276; 2364-1819
• DOI: 10.1007/s40995-017-0307-9

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 P3c1, and results indicate ordering distribution of Si and Al (unit cell parameters is a = 5.2995, c = 15.594 A 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 A 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 hexacelsian structure in different position.