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 = 25 C
;
_database_code_amcsd 0007443
_chemical_formula_sum 'Al2 Be O4'
_cell_length_a 4.424
_cell_length_b 9.396
_cell_length_c 5.471
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 227.418
_exptl_crystal_density_diffrn      3.708
_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   0.00405
Al2   0.99490   0.27306   0.25000   0.00253
Be   0.43330   0.09290   0.25000   0.00557
O1   0.78740   0.09010   0.25000   0.00443
O2   0.24220   0.43300   0.25000   0.00456
O3   0.25680   0.16310   0.01540   0.00481