#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/25/2002507.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_2002507
_chemical_name_systematic
;
Lanthanum strontium copper iridium oxide (1.5/0.5/0.75/.25/4)
;
_chemical_formula_structural       'La1.5 Sr0.5 Cu0.75 Ir0.25 O4'
_chemical_formula_sum            'Cu0.75 Ir0.25 La1.5 O4 Sr0.5'
_[local]_cod_chemical_formula_sum_orig 'Cu.75 Ir.25 La1.5 O4 Sr.5'
_publ_section_title
;
Ein Beitrag ueber dotiertes Lanthancuprat: La1.5 Sr0.5 Cu0.75 M0.25 O4
(M= Ti4+, Ir4+)
;
loop_
_publ_author_name
  'Mueller-Buschbaum, Hk'
  'Boje, J'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    167
_journal_year                      1990
_journal_page_first                179
_journal_page_last                 183
_cell_length_a                     5.3991(12)
_cell_length_b                     5.4070(7)
_cell_length_c                     13.1042(22)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       382.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A b m a'
_symmetry_Int_Tables_number        64
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,y,1/2+z'
  '-x,-y,-z'
  'x,-y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,-y,1/2-z'
  'x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '-x,1/2-y,1/2-z'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2-y,z'
  '1/2+x,1/2-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Sr2+   2.000
  Cu2+   2.000
  Ir4+   4.000
  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
  La1   La3+   8 f 0.9871(8) 0. 0.3599(1) 0.75  0 d
  Sr1   Sr2+   8 f 0.9871(8) 0. 0.3599(1) 0.25  0 d
  Cu1   Cu2+   4 a 0. 0. 0. 0.75  0 d
  Ir1   Ir4+   4 a 0. 0. 0. 0.25  0 d
  O1    O2-    8 e 0.25 0.25 0.0089(18) 1.  0 d
  O2    O2-    8 f 0.9766(69) 0. 0.1773(12) 1.  0 d
_refine_ls_R_factor_all            0.04
_cod_database_code 2002507
_journal_paper_doi 10.1016/0022-5088(90)90303-2