data_global
_chemical_name_mineral 'Chrysoberyl'
loop_
_publ_author_name
'Farrell E F'
'Fang J H'
'Newnham R E'
_journal_name_full 'American Mineralogist'
_journal_volume 48
_journal_year 1963
_journal_page_first 804
_journal_page_last 810
_publ_section_title
;
 Refinement of the chrysoberyl structure
;
_database_code_amcsd 124
_chemical_formula_sum 'Al2 Be O4'
_cell_length_a 9.404
_cell_length_b 5.476
_cell_length_c 4.427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 227.974
_exptl_crystal_density_diffrn  3.699
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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   0.0  0.0  0.0  0.00092
Al2   0.27319  0.25  -0.00595  0.0013
Be   0.09294  0.25  0.43347  0.00191
O1   0.09051  0.25  0.79016  0.00077
O2   0.43343  0.25  0.24097  0.00286
O3   0.16318  0.01718  0.2585  0.00177