data_global
_chemical_name_mineral 'Chrysoberyl'
loop_
_publ_author_name
'Hazen R M'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 14 
_journal_year 1987
_journal_page_first 13
_journal_page_last 20
_publ_section_title
;
 High-pressure crystal chemistry of chrysoberyl, Al2BeO4:
 insights on the origin of olivine elastic anisotropy
 Sample: P = 1 bar
;
_database_code_amcsd 0007428
_chemical_formula_sum 'Al2 Be O4'
_cell_length_a 4.428
_cell_length_b 9.415
_cell_length_c 5.481
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 228.501
_exptl_crystal_density_diffrn      3.691
_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   0.00697
Al2   0.99420   0.27290   0.25000   0.00469
Be   0.43280   0.09300   0.25000   0.01013
O1   0.78990   0.09050   0.25000   0.00735
O2   0.24190   0.43300   0.25000   0.00811
O3   0.25690   0.16280   0.01540   0.00621
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al1 0.00695 0.00719 0.00654 0.00042 0.00074 0.00000
Al2 0.00467 0.00449 0.00472 0.00253 0.00000 0.00000
Be 0.00983 0.01168 0.00837 0.00063 0.00000 0.00000
O1 0.00924 0.00494 0.00807 0.00021 0.00000 0.00000
O2 0.00914 0.00674 0.00837 -0.00169 0.00000 0.00000
O3 0.00556 0.00808 0.00487 0.00127 0.00111 0.00000