#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001157.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_1001157
_chemical_name_systematic
;
Europium strontium copper oxide (1.3/1.7/2/5.65)
;
_chemical_formula_structural       'Eu1.3 Sr1.7 Cu2 O5.65'
_chemical_formula_sum              'Cu2 Eu1.3 O5.65 Sr1.7'
_publ_section_title
;
Intercroissances des structures de type Perovskite et Sr O deficitaires
en oxygene: les oxydes Ln~2-x~ Sr~1+x~ Cu~2~ O~6-x/2~ (Ln = Sm, Eu, Gd)
;
loop_
_publ_author_name
  'Nguyen, N'
  'Choisnet, J'
  'Raveau, B'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    17
_journal_year                      1982
_journal_page_first                567
_journal_page_last                 573
_cell_length_a                     3.744
_cell_length_b                     11.337
_cell_length_c                     20.047
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       850.9
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'I m m m'
_symmetry_Int_Tables_number        71
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
  '-x,y,z'
  'x,-y,z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Eu3+   3.000
  Sr2+   2.000
  Cu2+   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 a 0. 0. 0. 1.  0 d
  Eu2   Eu3+   4 g 0. 0.291 0. 1.  0 d
  Eu3   Eu3+   4 i 0. 0. 0.197 0.45  0 d
  Sr1   Sr2+   4 i 0. 0. 0.197 0.55  0 d
  Sr2   Sr2+   8 l 0. 0.326 0.171 1.  0 d
  Cu1   Cu2+   4 i 0. 0. 0.596 1.  0 d
  Cu2   Cu2+   8 l 0. 0.342 0.6 1.  0 d
  O1    O2-    8 l 0. 0.168 0.414 1.  0 d
  O2    O2-    8 l 0. 0.128 0.104 0.238  0 d
  O3    O2-    4 j 0.5 0. 0.123 1.  0 d
  O4    O2-    4 j 0.5 0. 0.414 1.  0 d
  O5    O2-    4 i 0. 0. 0.69 1.  0 d
  O6    O2-    8 l 0. 0.305 0.699 1.  0 d
  O7    O2-    4 h 0. 0.352 0.5 1.  0 d
_refine_ls_R_factor_all            0.08
_cod_database_code 1001157