data_global
_chemical_name_mineral 'Metaborite'
loop_
_publ_author_name
'Freyhardt C C'
'Wiebcke M'
'Felsche J'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 56 
_journal_year 2000
_journal_page_first 276
_journal_page_last 278
_publ_section_title
;
 The monoclinic and cubic phases of metaboric acid (precise redeterminations)
;
_database_code_amcsd 0018652
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'B O2 H'
_cell_length_a 8.8811
_cell_length_b 8.8811
_cell_length_c 8.8811
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 700.487
_exptl_crystal_density_diffrn      2.493
_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   0.71733   0.80853   0.58110 ?
O1   0.82221   0.92596   0.64509 ?
O2   0.80015   0.66772   0.58016 ?
H   0.92750   0.89200   0.67070   0.03500
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 0.00421 0.00403 0.00397 0.00006 0.00022 -0.00001
O1 0.00374 0.00327 0.00580 0.00029 -0.00085 -0.00098
O2 0.00556 0.00352 0.00355 0.00102 0.00044 0.00027