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#$Date: 2014-07-11 16:35:18 +0200 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/16/1001648.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001648
_chemical_name_systematic
;
Yttrium barium cobalt copper iron oxide (1/1/1/0.5/0.5/5)
;
_chemical_formula_structural       'Y Ba Co Cu0.5 Fe0.5 O5'
_chemical_formula_sum            'Ba Co Cu0.5 Fe0.5 O5 Y'
_[local]_cod_chemical_formula_sum_orig 'Ba Co Cu.5 Fe.5 O5 Y'
_publ_section_title
;
Magnetic behaviour of the "112" type substituted cuprate Y Ba Co Cu1-x
Fex O5
;
loop_
_publ_author_name
  'Barbey, L'
  'Nguyen, N'
  'Ducouret, A'
  'Caignaert, V'
  'Greneche, J M'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    115
_journal_year                      1995
_journal_page_first                514
_journal_page_last                 520
_cell_length_a                     3.8785(2)
_cell_length_b                     3.8785(2)
_cell_length_c                     7.5441(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       113.5
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4/m m m'
_symmetry_Int_Tables_number        123
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Y3+    3.000
  Ba2+   2.000
  Co2+   2.500
  Cu2+   2.000
  Fe3+   3.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Y1    Y3+    1 b 0. 0. 0.5 1.  0 d
  Ba1   Ba2+   1 a 0. 0. 0. 1.  0 d
  Co1   Co2+   2 h 0.5 0.5 0.2652(4) 0.5  0 d
  Cu1   Cu2+   2 h 0.5 0.5 0.2652(4) 0.25  0 d
  Fe1   Fe3+   2 h 0.5 0.5 0.2652(4) 0.25  0 d
  O1    O2-    4 i 0.5 0. 0.3123(3) 1.  0 d
  O2    O2-    1 c 0.5 0.5 0. 1.  0 d
_refine_ls_R_factor_all            0.02
_cod_database_code 1001648
_journal_paper_doi 10.1006/jssc.1995.1167