data_1008089
_chemical_name_systematic          'BARIUM DIALUMINIUM OXIDE'
_chemical_formula_structural       'BA AL2 O4'
_chemical_formula_sum              'Al2 Ba O4'
_publ_section_title
;
Parametres atomiques de Ba Al~2~ O~4~ et etudes des solutions solides
Ba Fe~x~ Al~2-x~ O~4~ et Ba Ga~x~ Al~2-x~ O~4~
;
loop_
_publ_author_name
  'Do=Dinh, C'
  'Bertaut, C'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    88
_journal_year                      1965
_journal_page_first                413
_journal_page_last                 416
_cell_length_a                     5.227(3)
_cell_length_b                     5.227(3)
_cell_length_c                     8.802(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       208.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 2 2'
_symmetry_Int_Tables_number        182
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Al3+   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
  Ba1   Ba2+   2 b 0. 0. 0.25 1.  0 d
  Al1   Al3+   4 f 0.3333 0.6667 0.051 1.  0 d
  O1    O2-    2 c 0.3333 0.6667 0.25 1.  0 d
  O2    O2-    6 g 0.343 0. 0. 1.  0 d
_refine_ls_R_factor_all            0.05