data_global
_chemical_name_mineral 'Bromellite'
loop_
_publ_author_name
'Hazen R M'
'Finger L W'
_journal_name_full 'Journal of Applied Physics'
_journal_volume 59 
_journal_year 1986
_journal_page_first 3728
_journal_page_last 3733
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: T = 1073 K
;
_database_code_amcsd 0019189
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Be O'
_cell_length_a 2.714
_cell_length_b 2.714
_cell_length_c 4.405
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 28.099
_exptl_crystal_density_diffrn      2.956
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Be   0.33333   0.66667   0.00000   0.01178
O   0.33333   0.66667   0.37820   0.00823
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
Be 0.01147 0.01147 0.01278 0.00616 0.00000 0.00000
O 0.00812 0.00812 0.00836 0.00420 0.00000 0.00000