Crystal structure and magnetic properties of CuSb2O4

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dc.contributor.author Atanasova, Maria T.
dc.contributor.author Strydom, Andre M.
dc.contributor.author Schutte, C.J.H. (Casper Jan Hendrik), 1934-2013
dc.contributor.author Prinsloo, Linda Charlotta
dc.contributor.author Focke, Walter Wilhelm
dc.date.accessioned 2014-04-04T13:05:54Z
dc.date.available 2014-04-04T13:05:54Z
dc.date.issued 2014-05
dc.description.abstract The crystal structure of a copper antimonite (CuSb2O4) was determined from X-ray powder diffraction data. The structure was solved by simulated annealing in direct space using the Rietveld method. The compound crystallizes in tetragonal symmetry and space group P4 2 bc (106); unit cell parameters a = b = 8.76033(5) Å, c = 5.79786(4) Å, Z = 4, V = 444.947(5) Å3 and density (calc.) = 5.539 g cm−3. The CuO6 polyhedra are strongly elongated due to Jahn–Teller distortion in a [2+2+2] coordination arrangement, i.e. there are two long axial Cu–O1 bonds of 2.447(13) Å and in the equatorial plane there are two intermediate Cu–O2 bonds of 2.07(3) Å and two short Cu–O2 bonds of 1.88(2) Å. The SbO3 pyramidal arrangement is almost regular with Sb–O1 bonds of 1.97(2) Å (2×) and Sb–O2 of 1.959(5) Å. The experimentally obtained Raman spectrum is consistent with values obtained from theoretical modelling studies. The magnetic behaviour of this new compound suggests that it belongs to the class of S = 1/2 Heisenberg chain systems. en
dc.description.librarian hb2014 en
dc.description.librarian ai2014
dc.description.sponsorship Financial support for this research from AEL Mining Services and the THRIP programme of the Department of Trade and Industry and the National Research Foundation of South Africa is gratefully acknowledged. AMS thanks the NRF (78832) and the URC of UJ for financial assistance. en
dc.description.uri http://link.springer.com/journal/10853 en
dc.identifier.citation Atanasova, MT, Strydom, AM, Schutte, CJH, Prinsloo, LC & Focke, WW 2014, 'Crystal structure and magnetic properties of CuSb2O4', Journal of Materials Science, vol. 49, no. 9, pp. 3497-3510. en
dc.identifier.issn 0022-2461 (print)
dc.identifier.issn 1573-4803 (online)
dc.identifier.other 10.1007/s10853-014-8063-0
dc.identifier.uri http://hdl.handle.net/2263/39606
dc.language.iso en en
dc.publisher Springer en
dc.rights © Springer Science+Business Media New York 2014 en
dc.subject Copper antimonite en
dc.subject X-ray diffraction en
dc.subject Crystal structure en
dc.subject Magnetic properties en
dc.subject.lcsh Copper alloys en
dc.subject.lcsh Crystallization en
dc.subject.lcsh Metal crystals en
dc.subject.lcsh Copper alloys -- Magnetic properties en
dc.subject.lcsh Raman spectroscopy en
dc.subject.lcsh Antimony alloys -- Magnetic properties en
dc.title Crystal structure and magnetic properties of CuSb2O4 en
dc.type Postprint Article en


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