data_2002272
_chemical_name_systematic          'Barium digallate'
_chemical_formula_structural       'Ba (Ga2 O4)'
_chemical_formula_sum              'Ba Ga2 O4'
_publ_section_title
;
Ueber Erdalkalimetalloxogallate - IV(1) Untersuchung der Ueberstruktur
von Ba Ga2 O4
;
loop_
_publ_author_name
  'Deiseroth, H J'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Inorganic and Nuclear Chemistry'
_journal_volume                    35
_journal_year                      1973
_journal_page_first                3177
_journal_page_last                 3182
_cell_length_a                     10.74
_cell_length_b                     10.74
_cell_length_c                     8.675
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       866.6
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'P 63'
_symmetry_Int_Tables_number        173
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Ga3+   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 a 0. 0. 0.25 1.  0 d
  Ba2   Ba2+   6 c 0.5154 0.0276 0.228 1.  0 d
  Ga1   Ga3+   6 c 0.164 0.327 0.039 1.  0 d
  Ga2   Ga3+   6 c 0.167 0.328 0.43 1.  0 d
  Ga3   Ga3+   2 a 0. 0. -0.044 0.5  0 d
  Ga4   Ga3+   2 a 0. 0. 0.05 0.5  0 d
  Ga5   Ga3+   2 a 0. 0. -0.473 0.5  0 d
  Ga6   Ga3+   2 a 0. 0. 0.454 0.5  0 d
  O1    O2-    6 c 0.172 0. -0.017 1.  0 d
  O2    O2-    6 c 0.672 0. -0.068 1.  0 d
  O3    O2-    6 c 0.5 0.172 -0.035 1.  0 d
  O4    O2-    6 c 0.172 0.5 -0.028 1.  0 d
  O5    O2-    6 c 0.23 0.306 0.223 1.  0 d
  O6    O2-    2 a 0. 0. 0.74 0.5  0 d
  O7    O2-    2 a 0. 0. 0.252 0.5  0 d
_refine_ls_R_factor_all            0.129