data_1008703
_chemical_name_systematic
;
Barium gallium oxide (0.7/10.8/16.8) - $-beta
;
_chemical_formula_structural       'Ba.65 Ga10.8 O16.84'
_chemical_formula_sum              'Ba.65 Ga10.8 O16.84'
_publ_section_title
;
Crystal structure of a barium hexagallate: Barium $-betagallate
;
loop_
_publ_author_name
  'Samaras, D'
  'Kotrotsios, G'
  'Collomb, A'
  'Guitel, J C'
  'Stergiou, A C'
_journal_name_full                 'Solid State Ionics'
_journal_coden_ASTM                SSIOD3
_journal_volume                    21
_journal_year                      1986
_journal_page_first                143
_journal_page_last                 149
_cell_length_a                     5.859(2)
_cell_length_b                     5.859(2)
_cell_length_c                     23.19199(900)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       689.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,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'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-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
  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+   6 h 0.6781(11) 0.3562 0.25 0.216(2)  0 d
  Ga1   Ga3+  12 k 0.83359(6) 0.66718 0.10729(2) 0.982(4)  0 d
  Ga2   Ga3+   4 f 0.3333 0.6667 0.02430(4) 0.899(6)  0 d
  Ga3   Ga3+   4 f 0.3333 0.6667 0.17538(4) 1.  0 d
  Ga4   Ga3+   2 a 0. 0. 0. 1.  0 d
  Ga5   Ga3+  12 k 0.8415(29) 0.683 0.1737(8) 0.018(1)  0 d
  O1    O2-   12 k 0.1558(4) 0.3116 0.0522(1) 0.94(1)  0 d
  O2    O2-   12 k 0.5071(5) 0.0142 0.1507(1) 1.  0 d
  O3    O2-    4 f 0.6667 0.3333 0.0579(3) 1.  0 d
  O4    O2-    4 e 0. 0. 0.1460(2) 1.  0 d
  O5    O2-    6 h 0.2860(21) 0.572 0.25 0.33  0 d
  O6    O2-    6 h 0.8723(93) 0.7446 0.25 0.07(1)  0 d
_refine_ls_R_factor_all            0.018