data_1004122
_chemical_name_systematic          'Bismuth gadolinium oxide (0.65/0.35/1.5)'
_chemical_formula_structural       'Bi0.65 Gd0.35 O1.5'
_chemical_formula_sum              'Bi.65 Gd.35 O1.5'
_publ_section_title
;
Stability, thermal behaviour, and crystal structure of ion ordered Bi1-
x Lnx O1.5 phases (Ln = Sm - Dy)
;
loop_
_publ_author_name
  'Drache, M'
  'Conflant, P'
  'Obbade, S'
  'Wignacourt, J P'
  'Watanabe, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    129
_journal_year                      1997
_journal_page_first                98
_journal_page_last                 104
_cell_length_a                     11.0488(1)
_cell_length_b                     11.0488(1)
_cell_length_c                     11.0488(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1348.8
_cell_formula_units_Z              32
_exptl_crystal_density_meas        8.44
_symmetry_space_group_name_H-M     'I 21 3'
_symmetry_Int_Tables_number        199
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-z,-x'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2-z'
  '-y,1/2+z,1/2-x'
  '-z,1/2+x,1/2-y'
  '1/2-x,-y,1/2+z'
  '1/2-y,-z,1/2+x'
  '1/2-z,-x,1/2+y'
  '1/2+x,1/2+y,1/2+z'
  '1/2+y,1/2+z,1/2+x'
  '1/2+z,1/2+x,1/2+y'
  'x,-y,1/2-z'
  'y,-z,1/2-x'
  'z,-x,1/2-y'
  '1/2-x,y,-z'
  '1/2-y,z,-x'
  '1/2-z,x,-y'
  '-x,1/2-y,z'
  '-y,1/2-z,x'
  '-z,1/2-x,y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Gd3+   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
  Bi1   Bi3+   8 a 0.2702(2) 0.2702(2) 0.2702(2) 1.  0 d
  Bi2   Bi3+  12 b -0.0163(4) 0. 0.25 1.  0 d
  Bi3   Bi3+  12 b 0.4979(6) 0. 0.25 0.066  0 d
  Gd1   Gd3+  12 b 0.4979(6) 0. 0.25 0.934  0 d
  O1    O2-   24 c 0.373(3) 0.079(5) 0.388(4) 1.  0 d
  O2    O2-   24 c 0.127(4) 0.349(3) 0.139(4) 1.  0 d
_refine_ls_R_factor_all            0.089