data_1001570
_chemical_name_systematic          'Bismuth lead barium lanthanum copper oxide'
_chemical_formula_structural       '(Bi Pb) (Ba La) Cu O6'
_chemical_formula_sum              'Ba Bi Cu La O6 Pb'
_publ_section_title
;
Neutron diffraction study of the modulation free 2201-type structure:
BiPbBaLaCuO~6~
;
loop_
_publ_author_name
  'Michel, C'
  'Pelloquin, D'
  'Hervieu, M'
  'Raveau, B'
  'Bouree, F'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_coden_ASTM                EJSCE5
_journal_volume                    30
_journal_year                      1993
_journal_page_first                991
_journal_page_last                 996
_cell_length_a                     5.4071(3)
_cell_length_b                     5.4895(4)
_cell_length_c                     24.549(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       728.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n a n'
_symmetry_Int_Tables_number        52
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,y,-z'
  'x,1/2-y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2+x,-y,z'
  '-x,1/2+y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Pb2+   2.000
  Ba2+   2.000
  La3+   3.000
  Cu2+   2.000
  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
  Bi1   Bi3+   8 e -0.0052(20) 0.2666(8) 0.0605(1) 0.5  0 d
  Pb1   Pb2+   8 e -0.0052(20) 0.2666(8) 0.0605(1) 0.5  0 d
  Ba1   Ba2+   8 e 0.0089(22) 0.75 0.1756(1) 0.5  0 d
  La1   La3+   8 e 0.0089(22) 0.75 0.1756(1) 0.5  0 d
  Cu1   Cu2+   4 d 0.5 0.75 0.25 1.  0 d
  O1    O2-    8 e 0.75 0. 0.25 1.  0 d
  O2    O2-    8 e 0.4966(22) 0.7814(11) 0.1464(2) 1.  0 d
  O3    O2-    8 e 0.9025(10) 0.6450(9) 0.0696(3) 0.5  0 d
  O4    O2-    8 e 0.0975(10) 0.6450(9) 0.0696(3) 0.5  0 d
_refine_ls_R_factor_all            0.024