data_global _chemical_name_mineral 'Allactite' loop_ _publ_author_name 'Moore P B' _journal_name_full 'American Mineralogist' _journal_volume 53 _journal_year 1968 _journal_page_first 733 _journal_page_last 741 _publ_section_title ; Crystal chemistry of the basic manganese arsenate minerals: II. The crystal structure of allactite ; _database_code_amcsd 169 _chemical_formula_sum 'Mn7 As2 (O16 H8)' _cell_length_a 11.03 _cell_length_b 12.12 _cell_length_c 5.51 _cell_angle_alpha 90.0 _cell_angle_beta 114.07 _cell_angle_gamma 90.0 _cell_volume 672.548 _exptl_crystal_density_diffrn 3.943 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mn1 0.0 0.0 0.0 0.01646 Mn2 0.2101 0.1801 -0.0604 0.01203 Mn3 -0.0067 0.4308 0.7404 0.01039 Mn4 -0.0001 0.2893 0.2516 0.01292 As -0.2079 0.0794 0.3262 0.00228 O-H1 0.1152 0.3065 0.6733 0.01355 O2 -0.1219 0.5717 0.8256 0.00709 O-H3 0.0938 0.1554 0.1726 0.01849 O4 -0.166 0.2017 0.2525 0.01862 O-H5 -0.1153 0.4373 0.3116 0.01722 O-H6 0.1257 0.6831 0.1744 0.01165 O7 -0.1414 -0.0187 0.2131 0.01178 O8 0.338 0.4259 0.6601 0.01722