data_global
_amcsd_formula_title 'Ir O4 Sr2'
loop_
_publ_author_name
'Huang Q'
'Soubeyroux J'
'Chmaissem O'
'Natali Sora I'
'Santoro A'
'Cava R'
'Krajewski J'
'Peck W'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 112 
_journal_year 1994
_journal_page_first 355
_journal_page_last 361
_publ_section_title
;
 Neutron powder diffraction study of the crystal structures of
 Sr2RuO4 and Sr2IrO4 at room temperature and at 10K
 _cod_database_code 1008662
;
_database_code_amcsd 0016550
_chemical_formula_sum 'Sr2 Ir O4'
_cell_length_a 5.48463
_cell_length_b 5.48463
_cell_length_c 25.7977
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 776.025
_exptl_crystal_density_diffrn      7.386
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,1/2-x,3/4+z'
  '1/2-y,-x,1/4+z'
  '1/2+y,1/2+x,-z'
  '+y,+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '+y,-x,-z'
  '-y,1/2+x,1/4+z'
  '1/2-y,+x,3/4+z'
  '1/2+x,1/2-y,z'
  '+x,-y,1/2+z'
  '1/2-x,y,1/4-z'
  '-x,1/2+y,3/4-z'
  '1/2+x,y,3/4-z'
  '+x,1/2+y,1/4-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2+y,x,1/4+z'
  '+y,1/2+x,3/4+z'
  '-y,-x,1/2-z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,-x,3/4+z'
  '+y,1/2-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,1/2-y,3/4-z'
  '1/2+x,-y,1/4-z'
  '-x,1/2-y,1/4-z'
  '1/2-x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1   0.00000   0.00000   0.17573   1.00000
Ir1   0.00000   0.00000   0.00000   1.00000
O1   0.19810   0.19810   0.25000   0.86100
O2   0.30190   0.30190   0.25000   0.13900
O3   0.00000   0.00000   0.07974   1.00000