data_global
_amcsd_formula_title 'Al2O3'
loop_
_publ_author_name
'Ollivier B'
'Retoux R'
'Lacorre P'
'Massiot D'
'Ferey G'
_journal_name_full 'Journal of Materials Chemistry'
_journal_volume 7 
_journal_year 1997
_journal_page_first 1049
_journal_page_last 1056
_publ_section_title
;
 Crystal structure of kappa-alumina: an X-ray powder diffraction, TEM
 and NMR study
 Note: pyroxene structure
 _cod_database_code 1000442
;
_database_code_amcsd 0013079
_chemical_formula_sum 'Al2 O3'
_cell_length_a 4.8437
_cell_length_b 8.3300
_cell_length_c 8.9547
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 361.304
_exptl_crystal_density_diffrn      3.749
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1   0.67870   0.84160   0.00000
Al2   0.18460   0.34320   0.78680
Al3   0.81150   0.64890   0.69720
Al4   0.66770   0.46960   0.99930
O1   0.32900   0.83130   0.89270
O2   0.02480   0.49080   0.62920
O3   0.47170   0.66470   0.63810
O4   0.51450   0.67280   0.12120
O5   0.86080   0.33010   0.86620
O6   0.33600   0.49920   0.90000