data_global
_amcsd_formula_title 'Ba.29Mn2O4*.888H2O'
loop_
_publ_author_name
'Lopano C L'
'Heaney P J'
'Post J E'
'Hanson J'
'Komarneni S'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 380
_journal_page_last 387
_publ_section_title
;
 Time-resolved structural analysis of K-and Ba-exchange reactions with synthetic
 Na-birnessite using synchrotron X-ray diffraction
 Sample: Ba-birnessite
;
_database_code_amcsd 0004278
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba.145 Mn O2.444 H.888'
_cell_length_a 5.1711
_cell_length_b 2.8476
_cell_length_c 7.3076
_cell_angle_alpha 89.516
_cell_angle_beta 102.957
_cell_angle_gamma 89.897
_cell_volume 104.862
_exptl_crystal_density_diffrn      3.637
_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
Ba   0.58300   0.20930   0.50690   0.07250   0.10000
Mn   0.00000   0.00000   0.00000   1.00000   0.00180
O   0.37770  -0.03010   0.13210   1.00000   0.01700
Wat   0.58300   0.20930   0.50690   0.22200   0.10000