data_global
_chemical_name_mineral 'Tamarugite'
loop_
_publ_author_name
'Robinson P D'
'Fang J H'
_journal_name_full 'American Mineralogist'
_journal_volume 54
_journal_year 1969
_journal_page_first 19
_journal_page_last 30
_publ_section_title
;
 Crystal structures and mineral chemistry of double-salt hydrates: I. Direct
 determination of the crystal structure of tamarugite
;
_database_code_amcsd 186
_chemical_formula_sum 'Na Al S2 O14 H12'
_cell_length_a 7.353
_cell_length_b 25.225
_cell_length_c 6.097
_cell_angle_alpha 90.0
_cell_angle_beta 95.2
_cell_angle_gamma 90.0
_cell_volume 1126.214
_exptl_crystal_density_diffrn  2.065
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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
Na   0.6169  0.0525  0.195  0.0228
Al   0.1424  0.1454  0.6785  0.0114
S1   0.6427  0.183  0.2097  0.0152
S2   0.7076  0.0204  0.7515  0.0152
O1   0.5594  0.2214  0.0424  0.02406
O2   0.8171  0.1621  0.1392  0.02406
O3   0.5159  0.1391  0.2373  0.02913
O4   0.6811  0.2112  0.4229  0.0228
O5   0.2929  0.04  0.2612  0.02533
O6   0.7571  0.0421  0.538  0.0266
O7   0.5208  0.0381  0.7938  0.019
O8   0.8391  0.0384  0.9326  0.019
Wat1   0.1232  0.187  0.4182  0.019
Wat2   0.0611  0.0881  0.4987  0.0228
Wat3   0.3837  0.126  0.6365  0.019
Wat4   0.902  0.1636  0.7299  0.01773
Wat5   0.2358  0.202  0.8446  0.02406
Wat6   0.1389  0.1  0.9307  0.0304