data_global
_amcsd_formula_title 'Ba Ca0.22 Er1.78 Ni O5'
loop_
_publ_author_name
'Alonso J'
'Rasines I'
'Rodriguez-Carvajal J'
'Torrance J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 109 
_journal_year 1994
_journal_page_first 231
_journal_page_last 240
_publ_section_title
;
 Hole and electron doping of R2BaNiO5 (R=rare earths)
 _cod_database_code 1006068
;
_database_code_amcsd 0013803
_chemical_formula_sum '(Ca.224 Er1.776) Ba Ni O5'
_cell_length_a 3.7423
_cell_length_b 5.7416
_cell_length_c 11.2729
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 242.218
_exptl_crystal_density_diffrn      7.980
_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
_atom_site_occupancy
Ca1   0.50000   0.00000   0.20380   0.11200
Er1   0.50000   0.00000   0.20380   0.88800
Ba1   0.50000   0.50000   0.00000   1.00000
Ni1   0.00000   0.00000   0.00000   1.00000
O1   0.00000   0.23970   0.14810   1.00000
O2   0.50000   0.00000   0.00000   1.00000