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Powder X-ray diffraction data of BaFI

Published online by Cambridge University Press:  10 January 2013

N. Subramanian*
Affiliation:
Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603 102, Tamilnadu, India
N. V. Chandra Shekar
Affiliation:
Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603 102, Tamilnadu, India
P. Ch. Sahu
Affiliation:
Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603 102, Tamilnadu, India
Mohammad Yousuf
Affiliation:
Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603 102, Tamilnadu, India
K. Govinda Rajan
Affiliation:
Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam-603 102, Tamilnadu, India
*
a)Electronic mail: [email protected]

Abstract

This paper presents the powder X-ray diffraction data of BaFI recorded using a Guinier diffractometer and Mo Kα1 radiation. BaFI stabilizes at standard temperature of 25 °C and standard-atmospheric pressure (STP) in the tetragonal structure (space group P4/nmm; No. 129) with lattice parameters a=4.660(1) Å and c=7.960(5) Å. Our observed pattern is different from the existing observed powder diffraction data reported in the PDF files 34-716 (Beck, 1976) and 31-139 (), but matches almost perfectly with the pattern calculated by us from the reported single crystal data ( and with the calculated data available in PDF file 70-0481. Further, our data provide a number of new Bragg peaks extending beyond the range of d values available in the existing PDF files.

Type
New Diffraction Data
Copyright
Copyright © Cambridge University Press 2000

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References

Beck, H. P. (1976). “A Study on Mixed Halide Compounds MFX (M=Ca, Sr, Eu, Ba; X=Cl, Br, I),J. Solid State Chem. 17, 275282and PDF file 34-716.CrossRefGoogle Scholar
de Wolff, P. M. (1968). “A Simplified Criterion for the Reliability of a Powder Pattern Indexing,” J. Appl. Crystallogr. 1, 108113.CrossRefGoogle Scholar
Liebich, B. W., and Nicollin, D. (1977). “Refinement of the PbFCl Types BaFI, BaFBr and CaFCl,” Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 33, 27902794.CrossRefGoogle Scholar
Nicklaus, E. (1976). Thesis, Muenster, West Germany and PDF file 31-139.Google Scholar
Sahu, P. Ch., Yousuf, M., Chandra Shekar, N. V., Subramanian, N., and Govinda Rajan, K. (1995). “Performance of a diamond-anvil high-pressure x-ray diffractometer in the Guinier geometry,” Rev. Sci. Instrum. 66, 25992603.CrossRefGoogle Scholar
Smith, G. S., and Snydner, R. L. (1979). “F(N): A Criterion for Rating Powder Diffraction Patterns and Evaluating the Reliability of Powder Pattern Indexing,” J. Appl. Crystallogr. 12, 6065.CrossRefGoogle Scholar
Subramanian, N., Chandra Shekar, N. V., Sahu, P. Ch., Yousuf, M., and Govinda Rajan, K. (1998). “Crystal Structure of the High-Pressure Phase of BaFCl,” Phys. Rev. B 58,R555–558.CrossRefGoogle Scholar
Yvon, K., Jeitschko, W., and Parthe, E. (1977). “LAZY PULVERIX, a Computer Program, for Calculating X-ray and Neutron Diffraction Powder Patterns,” J. Appl. Crystallogr. 10, 7374.CrossRefGoogle Scholar