data_global
_chemical_name_mineral 'Metaborite'
loop_
_publ_author_name
'Zachariasen W H'
_journal_name_full 'Acta Crystallographica'
_journal_volume 16 
_journal_year 1963
_journal_page_first 380
_journal_page_last 384
_publ_section_title
;
 The crystal structure of cubic metaboric acid
;
_database_code_amcsd 0009277
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'B O2 H'
_cell_length_a 8.886
_cell_length_b 8.886
_cell_length_c 8.886
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 701.647
_exptl_crystal_density_diffrn      2.489
_symmetry_space_group_name_H-M 'P -4 3 n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-z,x,-y'
  '-y,z,-x'
  '-x,y,-z'
  '1/2+x,1/2-z,1/2-y'
  '1/2+z,1/2-y,1/2-x'
  '1/2+y,1/2-x,1/2-z'
  '1/2+x,1/2+z,1/2+y'
  '1/2+z,1/2+y,1/2+x'
  '1/2+y,1/2+x,1/2+z'
  '-z,-x,y'
  '-y,-z,x'
  '-x,-y,z'
  'z,-x,-y'
  'y,-z,-x'
  'x,-y,-z'
  '1/2-x,1/2+z,1/2-y'
  '1/2-z,1/2+y,1/2-x'
  '1/2-y,1/2+x,1/2-z'
  '1/2-x,1/2-z,1/2+y'
  '1/2-z,1/2-y,1/2+x'
  '1/2-y,1/2-x,1/2+z'
  'z,x,y'
  'y,z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
B   0.21720   0.08160   0.30940   0.00570
OI   0.08040   0.16710   0.30040   0.00532
O-hII   0.32230   0.14470   0.42620   0.00570
H   0.93700   0.10300   0.33700   0.06079
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
B 0.00508 0.00532 0.00580 -0.00108 0.00080 -0.00024
OI 0.00532 0.00376 0.00592 -0.00068 0.00032 0.00024
O-hII 0.00376 0.00688 0.00528 -0.00040 -0.00020 -0.00028