data_global
_amcsd_formula_title 'Bi0.775 O1.5 Pr0.225'
loop_
_publ_author_name
'Drache M'
'Obbade S'
'Wignacourt J'
'Conflant P'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 142 
_journal_year 1999
_journal_page_first 349
_journal_page_last 359
_publ_section_title
;
 Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
 rhombohedral Bi-Sr-O type
 _cod_database_code 1004136
;
_database_code_amcsd 0013960
_chemical_formula_sum 'Bi2.325 Pr.675 O4.5'
_cell_length_a 3.9975
_cell_length_b 3.9975
_cell_length_c 27.50899
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 380.699
_exptl_crystal_density_diffrn      8.545
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi1   0.00000   0.00000   0.00000   0.32500
Pr1   0.00000   0.00000   0.00000   0.67500
Bi2   0.00000   0.00000   0.22440   1.00000
O1   0.00000   0.00000   0.30200   1.00000
O2   0.00000   0.00000   0.09500   0.81000
O3   0.00000   0.00000   0.44500   0.44000