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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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