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Rietveld powder structure refinement of Na2Al2Ti6O16; Comparison of synchrotron radiation and conventional x-ray tube datasets

Published online by Cambridge University Press:  31 January 2011

H. Toraya ,
N. Masciocchi  and
W. Parrish
H. Toraya
Affiliation:
IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120–6099
N. Masciocchi
Affiliation:
IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120–6099
W. Parrish
Affiliation:
IBM Almaden Research Center, 650 Harry Road, San Jose, California 95120–6099
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Abstract

The crystal structure of Na2Al2Ti6O16 was refined by the Rietveld method using synchrotron radiation and conventional x-ray powder data, and the agreement factors were Rp = 3.35%, Rwp = 4.30%, and RBragg = 6.39% for synchrotron data. The formula based on the chemical analysis and 16 O atoms is Na1.97Al1.82Ti6.15O16. The crystal data are monoclinic, C2/m, a = 12.1239(3) Å, b = 3.7749(1) Å, c = 6.4180(2) Å, β = 107.59(1)°, V = 280.00(4) Å3, Z = 1, and Dx = 3.82 g cm−3. The site occupancy refinement showed a partial ordering of Al3+ and Ti4+ ions in the two-crystallographically independent octahedral sites.

Type
Articles
Information
Journal of Materials Research , Volume 5 , Issue 7 , July 1990 , pp. 1538 - 1543
Copyright
Copyright © Materials Research Society 1990

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