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The structure of monoclinic NaNiO2 as determined by powder X-ray and neutron scattering

Published online by Cambridge University Press:  10 January 2013

Stefan Dick ,
Michaela Müller ,
Franziska Preissinger  and
Thomas Zeiske
Stefan Dick
Affiliation:
Institut für Anorganische Chemie der Universität München, Meiserstrasse 1, 80333 München, Germany
Michaela Müller
Affiliation:
Institut für Anorganische Chemie der Universität München, Meiserstrasse 1, 80333 München, Germany
Franziska Preissinger
Affiliation:
Institut für Anorganische Chemie der Universität München, Meiserstrasse 1, 80333 München, Germany
Thomas Zeiske
Affiliation:
Institut für Kristallographie, Universität Tübingen, c/o Hahn–Meitner–Institut Berlin, Glienickerstrasse 100, 14109 Berlin, Germany
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Abstract

The crystal structure of low temperature NaNiO2 has been refined by Rietveld methods using powder X-ray diffraction and neutron scattering data. The starting model was based on parameters that had been obtained earlier by X-ray film methods. At room temperature NaNiO2 is monoclinic, C2/m, a=0.53192(2), b=0.28451(1), c=0.55826(4) nm, β=110.449(2)°. NaNiO2 has a layered structure. The Ni–O layer is formed by edge sharing of Jahn–Teller elonganted NiO6 octahedra with Ni–O distances of 0.1911(2) nm and 0.2144(4) nm. The Na ions between these layers also exhibit a distorted octahedral coordination with Na–O distances of 0.2328(2) nm and 0.2369(4) nm. The final R values were Rwp=0.069, RI=0.059, Rexp=0.059 for the neutron and Rwp=0.032, RI=0.034, Rexp=0.017 for the X-ray data.

Type
Research Article
Information
Powder Diffraction , Volume 12 , Issue 4 , December 1997 , pp. 239 - 241
Copyright
Copyright © Cambridge University Press 1997

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