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Title: Yttrium barium heptaoxocobaltate YBaCo{sub 4}O{sub 7+{delta}}: Refinement of the structure and determination of the composition

Parameters of the crystal structure of compound YBaCo{sub 4}O{sub 7} are refined. The experimental data [3917 reflections measured, 469 unique I{sub hkl}, and 420 observed reflections with I > 2{sigma}(I)] are obtained on a Bruker X8APEX automated diffractometer equipped with a CCD detector [MoK{sub {alpha}}, graphite monochromator, {theta}{sub max} = 33.09 Degree-Sign , space group P6{sub 3}mc, a = 6.3058(4) A, c = 10.2442(7) A, V = 352.77 A{sup 3}, Z = 2, d{sub calcd} = 5.404 g/cm{sup 3}, R{sub 1} = 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.
Authors:
; ; ; ;  [1]
  1. Russian Academy of Sciences, Nikolaev Institute of Inorganic Chemistry, Siberian Branch (Russian Federation)
Publication Date:
OSTI Identifier:
22210529
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 58; Journal Issue: 5; Other Information: Copyright (c) 2013 Pleiades Publishing, Ltd.; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BARIUM; CHARGE-COUPLED DEVICES; CRYSTALS; GRAPHITE; HEXAGONAL LATTICES; IMPURITIES; SPACE GROUPS; YTTRIUM