#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001601.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_1001601
_chemical_name_systematic
;
Europium barium cobalt copper oxide (2.5/2.5/2/3/12)
;
_chemical_formula_structural       'Eu2.5 Ba2.5 Co2 Cu3 O12'
_chemical_formula_sum              'Ba2.5 Co2 Cu3 Eu2.5 O12'
_publ_section_title
;
Eu~2.5~Ba~2.5~Co~2~Cu~3~O~12~, an intergrowth of the "112" and "123"
structures
;
loop_
_publ_author_name
  'Barbey, L'
  'Domenges, B'
  'Nguyen, N'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    111
_journal_year                      1994
_journal_page_first                238
_journal_page_last                 246
_cell_length_a                     3.8935(2)
_cell_length_b                     3.8935(2)
_cell_length_c                     19.08499(200)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       289.3
_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
  Eu3+   3.000
  Ba2+   2.000
  Cu2+   2.500
  Co2+   2.000
  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
  Eu1   Eu3+   2 h 0.5 0.5 0.1996(6) 1.  0 d
  Ba1   Ba2+   1 c 0.5 0.5 0. 1.  0 d
  Eu2   Eu3+   2 h 0.5 0.5 0.3892(3) 0.25  0 d
  Ba2   Ba2+   2 h 0.5 0.5 0.3892(3) 0.75  0 d
  Cu1   Cu2+   1 b 0. 0. 0.5 0.333  0 d
  Co1   Co2+   1 b 0. 0. 0.5 0.667  0 d
  Cu2   Cu2+   2 g 0. 0. 0.2934(9) 1.  0 d
  Cu3   Cu2+   2 g 0. 0. 0.1077(8) 0.333  0 d
  Co2   Co2+   2 g 0. 0. 0.1077(8) 0.667  0 d
  O1    O2-    1 a 0. 0. 0. 1.  0 d
  O2    O2-    4 i 0.5 0. 0.122 1.  0 d
  O3    O2-    4 i 0.5 0. 0.277 1.  0 d
  O4    O2-    2 g 0. 0. 0.407 1.  0 d
  O5    O2-    2 e 0.5 0. 0.5 0.5  0 d
_refine_ls_R_factor_all            0.072
_cod_database_code 1001601