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 0.001 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer ; _database_code_amcsd 0004947 _chemical_formula_sum 'Mn O4.054' _cell_length_a 5.1342 _cell_length_b 2.8469 _cell_length_c 7.4815 _cell_angle_alpha 90.310 _cell_angle_beta 101.559 _cell_angle_gamma 89.944 _cell_volume 107.134 _exptl_crystal_density_diffrn 3.714 _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 0.03030 O1 0.38110 0.00877 0.13420 1.00000 0.03360 Oint 0.28280 -0.08350 0.49960 0.50600 0.04340 Oint2 0.40180 0.36980 0.50790 0.52100 0.01070