data_global
_chemical_name_mineral 'Clinometaborite'
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 0018653
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'B O2 H'
_cell_length_a 6.758
_cell_length_b 8.844
_cell_length_c 7.075
_cell_angle_alpha 90
_cell_angle_beta 93.50
_cell_angle_gamma 90
_cell_volume 422.068
_exptl_crystal_density_diffrn      2.069
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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
B1   0.82973  -0.04305   0.23313 ?
B2   0.97799   0.21057   0.26215 ?
B3   0.67149   0.16278   0.40129 ?
O1   0.99486   0.06010   0.21706 ?
O2   0.81676   0.26220   0.35432 ?
O3   0.68233   0.01329   0.35631 ?
O4   0.87806  -0.19463   0.28819 ?
O5   0.72270  -0.04719   0.03131 ?
O6   0.51804   0.21638   0.49931 ?
H1   0.63800  -0.13340   0.00600   0.04700
H2   0.82200  -0.05300  -0.07030   0.05100
H3   0.43670   0.13470   0.52690   0.03900
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
B1 0.00797 0.00388 0.01178 -0.00004 0.00394 -0.00032
B2 0.00788 0.00420 0.01121 -0.00041 0.00275 -0.00058
B3 0.00819 0.00480 0.01143 0.00057 0.00363 -0.00048
O1 0.00789 0.00376 0.01320 -0.00088 0.00417 -0.00123
O2 0.00953 0.00489 0.01783 -0.00085 0.00672 -0.00219
O3 0.00987 0.00441 0.01469 -0.00015 0.00682 -0.00105
O4 0.00966 0.00390 0.01601 0.00162 0.00549 0.00134
O5 0.01026 0.00778 0.01184 -0.00225 0.00267 -0.00057
O6 0.01098 0.00598 0.01801 0.00125 0.00834 -0.00018