data_global
_amcsd_formula_title 'Al2O3'
loop_
_publ_author_name
'Husson E'
'Repelin Y'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 33 
_journal_year 1996
_journal_page_first 1223
_journal_page_last 1231
_publ_section_title
;
 Structural studies of transition aluminas. Theta alumina
 _cod_database_code 1200005
;
_database_code_amcsd 0018285
_chemical_formula_sum 'O3 Al2'
_cell_length_a 11.795
_cell_length_b 2.91
_cell_length_c 5.621
_cell_angle_alpha 90
_cell_angle_beta 103.79
_cell_angle_gamma 90
_cell_volume 187.371
_exptl_crystal_density_diffrn      3.614
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1   0.16268   0.00000   0.12276
O2   0.48945   0.00000   0.26127
O3   0.82995   0.00000   0.43863
Al1   0.10134   0.00000   0.79440
Al2   0.35235   0.00000   0.68739