data_global
_amcsd_formula_title 'Ba2PdO3'
loop_
_publ_author_name
'Laligant Y'
'Le Bail A'
'Ferey G'
'Hervieu M'
'Raveau B'
'Wilkinson A'
'Cheetham A'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 25 
_journal_year 1988
_journal_page_first 237
_journal_page_last 246
_publ_section_title
;
 Synthesis and ab-initio structure determination from X-ray powder data
 of Ba2PdO3 with sevenfold coordinated Ba.
 Structural correlations with K2NiF4 and Ba2NiF6
 _cod_database_code 1000071
;
_database_code_amcsd 0012519
_chemical_formula_sum 'Ba2 Pd O3'
_cell_length_a 13.335
_cell_length_b 4.080
_cell_length_c 3.8362
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 208.715
_exptl_crystal_density_diffrn      6.827
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba   0.35390   0.00000   0.00000
Pd   0.00000   0.00000   0.00000
O1   0.00000   0.50000   0.00000
O2   0.15190   0.00000   0.00000