data_global
_chemical_name_mineral 'Chrysoberyl'
loop_
_publ_author_name
'Bragg W'
'Brown G'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 63 
_journal_year 1926
_journal_page_first 122
_journal_page_last 143
_publ_section_title
;
 Die Kristallstruktur von Crysoberyll (Be Al2 O4).
 _cod_database_code 1011197
;
_database_code_amcsd 0018068
_chemical_formula_sum 'Be Al2 O4'
_cell_length_a 4.42
_cell_length_b 9.39
_cell_length_c 5.47
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 227.026
_exptl_crystal_density_diffrn      3.715
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Be1   0.37000   0.08300   0.25000
Al1   0.00000   0.00000   0.00000
Al2   0.00000   0.27800   0.25000
O1   0.75000   0.08300   0.25000
O2   0.25000   0.41700   0.25000
O3   0.25000   0.16700   0.00000