data_global
_chemical_name_mineral 'Todorokite'
loop_
_publ_author_name
'Post J E'
'Heaney P J'
'Hanson J C'
_journal_name_full 'American Mineralogist'
_journal_volume 88 
_journal_year 2003
_journal_page_first 142
_journal_page_last 150
_publ_section_title
;
 Synchrotron X-ray diffraction study of the structure and dehydration
 behavior of todorokite
;
_database_code_amcsd 0002955
_chemical_formula_sum 'Mn6 O16.9 Mg.47 H9.8'
_cell_length_a 9.769
_cell_length_b 2.8512
_cell_length_c 9.560
_cell_angle_alpha 90
_cell_angle_beta 94.47
_cell_angle_gamma 90
_cell_volume 265.468
_exptl_crystal_density_diffrn      3.886
_symmetry_space_group_name_H-M 'P 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,z'
  '-x,y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn1   0.50000   0.50000   0.00000   1.00000   0.02800
Mn2   0.76380   0.00000   0.00020   1.00000   0.02800
Mn3   0.00000   0.00000   0.50000   1.00000   0.02800
Mn4   0.97250   0.50000   0.76500   1.00000   0.02800
O1   0.14800   0.50000   0.08400   1.00000   0.04800
O2   0.41800   0.00000   0.09600   1.00000   0.04800
O3   0.66900   0.50000   0.10200   1.00000   0.04800
O4   0.91000   0.00000   0.15000   1.00000   0.04800
O5   0.90500   0.50000   0.39500   1.00000   0.04800
O6   0.89000   0.00000   0.65000   1.00000   0.04800
Wat1   0.42100   0.00000   0.39100   0.84000   0.04800
Wat2   0.65500   0.50000   0.37300   1.18000   0.04800
Wat3   0.62600   0.50000   0.67200   0.61000   0.04800
Mg   0.50000   0.50000   0.50000   0.47000   0.04800