data_global
_chemical_name_mineral 'Diomignite'
loop_
_publ_author_name
'Krogh-Moe J'
_journal_name_full 'Acta Crystallographica'
_journal_volume 15 
_journal_year 1962
_journal_page_first 190
_journal_page_last 193
_publ_section_title
;
 The crystal structure of lithium diborate, Li2O*2B2O3
;
_database_code_amcsd 0009268
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li2 B4 O7'
_cell_length_a 9.47
_cell_length_b 9.47
_cell_length_c 10.26
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 920.126
_exptl_crystal_density_diffrn      2.442
_symmetry_space_group_name_H-M 'I 41 c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,1/2-x,3/4+z'
  '1/2-y,-x,1/4+z'
  '-y,1/2+x,1/4+z'
  '1/2-y,+x,3/4+z'
  '1/2+x,1/2-y,z'
  '+x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2+y,x,1/4+z'
  '+y,1/2+x,3/4+z'
  '1/2+y,-x,3/4+z'
  '+y,1/2-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li   0.15800   0.15800   0.86000   0.00760
BI   0.08100   0.16900   0.19400   0.00760
BII   0.11500  -0.05400   0.08300   0.00760
OI   0.13500   0.28300   0.26000   0.00760
OII   0.17900   0.06700   0.15000   0.00760
OIII  -0.06000   0.15700   0.17100   0.00760
OIV   0.00000   0.00000   0.00000   0.00760