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 0.05 M
 Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
;
_database_code_amcsd 0004949
_chemical_formula_sum 'Mn O4.212'
_cell_length_a 5.1349
_cell_length_b 2.8465
_cell_length_c 7.5135
_cell_angle_alpha 89.94
_cell_angle_beta 101.561
_cell_angle_gamma 89.997
_cell_volume 107.593
_exptl_crystal_density_diffrn      3.776
_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   0.02960
O1   0.37100  -0.02050   0.12540   1.00000   0.03550
Oint   0.22210  -0.43170   0.51770   0.39900   0.01020
Oint2   0.39800   0.35150   0.50610   0.70700   0.01290