data_1001612
_chemical_name_systematic
;
Bismuth barium lanthanum copper oxide (1.5/2.5/1/2/8.2)
;
_chemical_formula_structural       'Bi1.5 Ba2.5 La Cu2 O8.24'
_chemical_formula_sum              'Ba2.5 Bi1.5 Cu2 La O8.24'
_publ_section_title
;
Neutron diffraction study of the nonmodulated 2212-type cuprate
Bi~1.5~Ba~2.5~LaCu~2~O~8.25~
;
loop_
_publ_author_name
  'Michel, C'
  'Pelloquin, D'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    112
_journal_year                      1994
_journal_page_first                362
_journal_page_last                 366
_cell_length_a                     3.9322(1)
_cell_length_b                     3.9322(1)
_cell_length_c                     31.23999(100)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       483.0
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  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+   4 e 0.5 0.5 0.2025(2) 0.75  0 d
  Ba1   Ba2+   4 e 0.5 0.5 0.2145(12) 0.25  0 d
  Ba2   Ba2+   4 e 0. 0. 0.1180(1) 1.  0 d
  La1   La3+   2 a 0. 0. 0. 1.  0 d
  Cu1   Cu2+   4 e 0.5 0.5 0.0565(1) 1.  0 d
  O1    O2-    8 g 0.5 0. 0.0509(1) 1.  0 d
  O2    O2-   16 n 0.173(2) 0. 0.2036(3) 0.231(8)  0 d
  O3    O2-    4 e 0.5 0.5 0.1344(2) 1.  0 d
  O4    O2-    8 g 0.5 0. 0.278(1) 0.099(5)  0 d
_refine_ls_R_factor_all            0.035