data_5000210
_chemical_name_systematic          'Sodium borate hydrate *'
_chemical_name_mineral             'Borax'
_chemical_formula_structural       'Na2 B4 O7 (H2 O)10'
_chemical_formula_sum              'H20 B4 Na2 O17'
_publ_section_title                'Borax as crystalline chain structure'
_publ_author_name                  'Font, y Tullot J M'
_journal_name_full                 'Estudios Geologicos (Madrid)'
_journal_volume                    7
_journal_year                      1947
_journal_page_first                13
_journal_page_last                 20
_cell_length_a                     11.89(4)
_cell_length_b                     10.74(3)
_cell_length_c                     12.19(4)
_cell_angle_alpha                  90
_cell_angle_beta                   106.58
_cell_angle_gamma                  90
_cell_volume                       1491.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        1.71(1)
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  B3+    3.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Na1   Na1+   8 f 0.15 0.42 -0.043 1.  0 d
  B1    B3+    8 f 0.007 0. 0.15 1.  0 d
  B2    B3+    8 f 0. 0.18 0. 1.  0 d
  O1    O2-    8 f 0.011 0.11 0.098 1.  0 d
  O2    O2-    8 f 0. 0.3 0. 1.  0 d
  O3    O2-    4 e 0. 0. 0.25 1.  0 d
  O4    O2-    8 f -0.011 0.11 -0.098 1.  0 d
  O5    O2-    8 f 0. 0.5 0.13 1.  2 d
  O6    O2-    8 f 0.31 0.33 -0.2 1.  2 d
  O7    O2-    8 f 0.31 0.58 -0.087 1.  2 d
  O8    O2-    8 f 0.31 0.33 0.053 1.  2 d
  O9    O2-    4 e 0. 0.26 0.25 1.  2 d
  O10   O2-    4 e 0. -0.26 0.25 1.  2 d
  H1    H1+    8 f -1. -1. -1. 10.  0 dum