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Rietveld Refinement of the Crystal Structure of CuF2

Published online by Cambridge University Press:  10 January 2013

Peter C. Burns  and
Frank C. Hawthorne
Peter C. Burns
Affiliation:
Department of Geological Sciences, University of Manitoba, Winnipeg, Manitoba, Canada R3T 2N2
Frank C. Hawthorne
Affiliation:
Department of Geological Sciences, University of Manitoba, Winnipeg, Manitoba, Canada R3T 2N2
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Abstract

The crystal structure of monoclinic CuF2 has been refined by the Rietveld method from X-ray powder diffraction data. The structure is monoclinic, space group P21/n, a = 3.2973(2), b = 4.5624(3), c = 4.6157(3) Å, β = 83.293(3)°, V = 68.96(2) Å3, with Cu+2 at (0,0,0) and F−1 at (−0.04176(68), 0.29410(35), 0.29410(35)). Final RB = 0.97%, RP = 1.99%, Rwp = 2.32%, RWP(expected) = 1.46%. The structure has a rutile-type arrangement, but with a monoclinic distortion that produces a highly distorted octahedral coordination around the Cu2+ ion with equatorial and apical Cu-F distances of 1.92 and 2.32 Å respectively.

Type
Research Article
Information
Powder Diffraction , Volume 6 , Issue 3 , September 1991 , pp. 156 - 158
Copyright
Copyright © Cambridge University Press 1991

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References

Billy, C. and Haendler, H.M. (1956). Acta Crystallogr. 79, 1049.Google Scholar
Howard, C.J. and Hill, R.J. (1986). A Computer Program for Rietveld Analysis of Fixed Wavelength X-ray and Neutron Powder Diffraction Patterns. Rept. No. M112, Australian Atomic Energy Commission, Lucas Heights Research Laboratories, PMB, Sutherland, New South Wales, Australia.Google Scholar
International Tables for X-ray Crystallography (1974). Vol. IV. Birmingham: Kynoch Press.Google Scholar
Jahn, H.A. and Teller, E. (1937). Proc. Roy. Soc., Ser. A, 161, 220.Google Scholar
Rietveld, H.M. (1967). Acta Crystallogr. 22, 151.Google Scholar
Rietveld, H.M. (1969). J. Appl. Crystallogr. 2, 65.Google Scholar
Smith, D.K. and Smith, K.L. (1987). Miero-POWD: A Program for Calculating X-ray Powder Diffraction Patterns on a PC. Materials Data, Inc., Livermore, CA 94550Google Scholar
Wiles, D.B. and Young, R.A. (1981). J. Appl. Crystallogr. 14, 149.Google Scholar