data_1000242
_chemical_name_systematic          'Barium diyttrium palladium oxide'
_chemical_formula_structural       'Y2 Ba Pd O5'
_chemical_formula_sum              'Ba O5 Pd Y2'
_publ_section_title
;
Crystal structure of palladate Y~2~ Ba Pd O~5~ with square planar
coordinated Pd^2+^
;
loop_
_publ_author_name
  'Laligant, Y'
  'Ferey, G'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    25
_journal_year                      1988
_journal_page_first                111
_journal_page_last                 117
_cell_length_a                     6.523(2)
_cell_length_b                     6.523(2)
_cell_length_c                     5.831(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       248.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 4/m b m'
_symmetry_Int_Tables_number        127
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,z'
  '-y,x,z'
  'y,-x,z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '1/2-y,1/2-x,-z'
  '1/2+y,1/2+x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Pd2+   2.000
  Y3+    3.000
  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
  Ba1   Ba2+   2 a 0. 0. 0. 1.  0 d
  Pd1   Pd2+   2 d 0.5 0. 0. 1.  0 d
  Y1    Y3+    4 h 0.1737(1) 0.3263(1) 0.5 1.  0 d
  O1    O2-    8 k 0.3588(3) 0.1412(3) 0.2562(5) 1.  0 d
  O2    O2-    2 b 0. 0. 0.5 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Ba1   0.0061(1) 0. 0. 0.0061(1) 0. 0.0079(1)
  Pd1   0.0057(1) 0.0008(1) 0. 0.0057(1) 0. 0.0048(2)
  Y1    0.0046(1) 0.0009(1) 0. 0.0046(1) 0. 0.0058(2)
  O1    0.0133(7) 0.0039(8) 0.0097(14) 0.0133(7) 0.0097(14) 0.0127(11)
  O2    0.0080(11) 0. 0. 0.0080(11) 0. 0.0169(22)
_refine_ls_R_factor_all            0.031