data_global
_chemical_name_mineral 'Chrysoberyl'
loop_
_publ_author_name
'Hazen R M'
'Finger L W'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 14 
_journal_year 1987
_journal_page_first 426
_journal_page_last 434
_publ_section_title
;
 High-temperature crystal chemistry of phenakite (Be2SiO4) and
 Chrysoberyl (BeAl2O4)
 Sample: T = 690 C
;
_database_code_amcsd 0007446
_chemical_formula_sum 'Al2 Be O4'
_cell_length_a 4.4457
_cell_length_b 9.4491
_cell_length_c 5.5011
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 231.089
_exptl_crystal_density_diffrn      3.650
_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
_atom_site_U_iso_or_equiv
Al1   0.00000   0.00000   0.00000   0.00975
Al2   0.99520   0.27367   0.25000   0.00836
Be   0.43570   0.09300   0.25000   0.01305
O1   0.78850   0.09030   0.25000   0.00950
O2   0.24290   0.43280   0.25000   0.01051
O3   0.25790   0.16270   0.01540   0.01089