data_global
_chemical_name_mineral 'Birnessite'
loop_
_publ_author_name
'Lopano C L'
'Heaney P J'
'Post J E'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 816
_journal_page_last 826
_publ_section_title
;
 Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy
 Note: Solution concentration 0.01 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
;
_database_code_amcsd 0004948
_chemical_formula_sum 'Mn O4.172'
_cell_length_a 5.1298
_cell_length_b 2.8445
_cell_length_c 7.5029
_cell_angle_alpha 90.12
_cell_angle_beta 101.395
_cell_angle_gamma 89.958
_cell_volume 107.322
_exptl_crystal_density_diffrn      3.766
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,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_occupancy
_atom_site_U_iso_or_equiv
Mn   0.00000   0.00000   0.00000   1.00000   0.02260
O1   0.37810   0.00450   0.13480   1.00000   0.02860
Oint   0.26130  -0.10380   0.49840   0.52700   0.01550
Oint2   0.40970   0.37940   0.50780   0.55900   0.00320