data_global
_chemical_name_mineral 'Aenigmatite'
loop_
_publ_author_name
'Cannillo E'
'Mazzi F'
'Fang J H'
'Robinson P D'
'Ohya Y'
_journal_name_full 'American Mineralogist'
_journal_volume 56 
_journal_year 1971
_journal_page_first 427
_journal_page_last 446
_publ_section_title
;
 The crystal structure of aenigmatite
 sample CM
;
_database_code_amcsd 0000224
_chemical_formula_sum 'Fe5 Ti Na2 Si6 O20'
_cell_length_a 10.406
_cell_length_b 10.813
_cell_length_c 8.926
_cell_angle_alpha 104.93
_cell_angle_beta 96.87
_cell_angle_gamma 125.32
_cell_volume 744.464
_exptl_crystal_density_diffrn      3.844
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Fe1   0.00000   0.00000   0.50000   0.01127
Fe2   0.00000   0.50000   0.00000   0.01077
Fe3   0.31930   0.85130   0.17790   0.01153
Fe4   0.76700   0.82030   0.15170   0.00861
Fe5   0.09520   0.93820   0.05220   0.01241
Fe6   0.59620   0.94350   0.06620   0.01039
Ti1   0.99700   0.74280   0.25650   0.00785
Na1   0.20920   0.62890   0.38930   0.01684
Na2   0.66270   0.61270   0.37330   0.01798
Si1   0.47980   0.23330   0.33110   0.01039
Si2   0.98790   0.23630   0.34560   0.00861
Si3   0.79250   0.34350   0.24240   0.01064
Si4   0.27820   0.33640   0.22570   0.01089
Si5   0.64780   0.94480   0.44500   0.00963
Si6   0.35250   0.55730   0.05010   0.00988
O1   0.36000   0.06840   0.16300   0.01292
O2   0.86400   0.06880   0.18000   0.01786
O3   0.54880   0.95350   0.29570   0.01520
O4   0.00870   0.92330   0.26480   0.01507
O5   0.23640   0.87510   0.39510   0.01507
O6   0.75230   0.88210   0.39120   0.01393
O7   0.49670   0.19470   0.49650   0.01267
O8   0.96030   0.77560   0.48430   0.01241
O9   0.90690   0.33000   0.37170   0.01824
O10   0.40910   0.34080   0.35390   0.00950
O11   0.67100   0.17730   0.07490   0.01824
O12   0.15650   0.16940   0.06460   0.01292
O13   0.51970   0.70940   0.03650   0.01317
O14   0.06710   0.73340   0.07760   0.00988
O15   0.24530   0.60980   0.11520   0.01912
O16   0.75720   0.60220   0.12300   0.01760
O17   0.40400   0.49950   0.18820   0.01279
O18   0.93700   0.51640   0.22690   0.01456
O19   0.17080   0.36610   0.32710   0.01153
O20   0.67490   0.36400   0.34220   0.01178