data_global
_chemical_name_mineral 'Borax'
loop_
_publ_author_name
'Morimoto N'
_journal_name_full 'Mineralogical Journal'
_journal_volume 2 
_journal_year 1956
_journal_page_first 1
_journal_page_last 18
_publ_section_title
;
 The crystal structure of borax
;
_database_code_amcsd 0019358
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na2 B4 O17 H20'
_cell_length_a 11.858
_cell_length_b 10.674
_cell_length_c 12.197
_cell_angle_alpha 90
_cell_angle_beta 106.68
_cell_angle_gamma 90
_cell_volume 1478.843
_exptl_crystal_density_diffrn      1.713
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-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
Na1   0.00000   0.00000   0.00000   0.02026
Na2   0.00000   0.84500   0.25000   0.02026
B1   0.08500   0.34500   0.21700   0.02026
B2   0.09500   0.45400   0.39000   0.02026
O1   0.00000   0.26500   0.25000   0.02026
O2   0.15400   0.41900   0.31400   0.02026
O3   0.01800   0.43500   0.12300   0.02026
O-H4   0.16100   0.26900   0.16700   0.02026
O-H5   0.16300   0.51100   0.49100   0.02026
Wat6   0.12300   0.84600   0.45000   0.02026
Wat7   0.12500   0.00200   0.19600   0.02026
Wat8   0.11900   0.16500   0.45900   0.02026
Wat9   0.11600   0.70700   0.17100   0.02026