#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001549.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_1001549
_chemical_name_systematic
;
Yttrium barium cobalt copper oxide (1/1/1/1/4.96)
;
_chemical_formula_structural       'Y Ba (Co Cu) O4.96'
_chemical_formula_sum              'Ba Co Cu O4.96 Y'
_publ_section_title
;
Mixed oxides of cobalt and copper with a double pyramidal layer
structure
;
loop_
_publ_author_name
  'Barbey, L'
  'Nguyen, N'
  'Caignaert, V'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    27
_journal_year                      1992
_journal_page_first                295
_journal_page_last                 301
_cell_length_a                     3.8688(2)
_cell_length_b                     3.8688(2)
_cell_length_c                     7.5726(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       113.3
_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+   2.460
  Cu2+   2.460
  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 0.2649(11) 0.5  0 d
  Cu1   Cu2+   2 h 0.5 0.5 0.2649(11) 0.5  0 d
  O1    O2-    4 i 0.5 0. 0.3137(19) 1.  0 d
  O2    O2-    1 d 0.5 0.5 0. 0.96  0 d
_refine_ls_R_factor_all            0.069