Yttrium barium heptaoxocobaltate YBaCo4O7+δ: Refinement of the structure and determination of the composition View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2013-09

AUTHORS

N. V. Podberezskaya, A. I. Smolentsev, L. P. Kozeeva, M. Yu. Kameneva, A. N. Lavrov

ABSTRACT

Parameters of the crystal structure of compound YBaCo4O7 are refined. The experimental data [3917 reflections measured, 469 unique Ihkl, and 420 observed reflections with I > 2σ(I)] are obtained on a Bruker X8APEX automated diffractometer equipped with a CCD detector [MoKα, graphite monochromator, θmax = 33.09°, space group P63mc, a = 6.3058(4) Å, c = 10.2442(7) Å, V = 352.77 Å3, Z = 2, dcalcd = 5.404 g/cm3, R1 = 0.0183 for 420 observed reflections and 0.0216 for all unique reflections]. The refinement shows that the occupancy factors of all sites of the space group correspond within three standard deviations to the standard values, that is, to the Y: Ba: Co: O = 1: 1: 4: 7 whole-number ratio of elements in the formula of the compound and to the absence of an aluminum impurity in the crystal. More... »

PAGES

682-686

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URI

http://scigraph.springernature.com/pub.10.1134/s1063774513040147

DOI

http://dx.doi.org/10.1134/s1063774513040147

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