data_global _chemical_name_mineral 'Braunite' loop_ _publ_author_name 'Moore P B' 'Araki T' _journal_name_full 'American Mineralogist' _journal_volume 61 _journal_year 1976 _journal_page_first 1226 _journal_page_last 1240 _publ_section_title ; Braunite: its structure and relationship to bixbyite, and some insights on the genealogy of fluorite derivative structures ; _database_code_amcsd 0000543 _chemical_formula_sum 'Mn7 Si O12' _cell_length_a 9.408 _cell_length_b 9.408 _cell_length_c 18.668 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1652.313 _exptl_crystal_density_diffrn 4.861 _symmetry_space_group_name_H-M 'I 41/a c d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4-y,3/4-x,3/4+z' '3/4-y,1/4-x,1/4+z' '1/4+y,3/4+x,3/4-z' '3/4+y,1/4+x,1/4-z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4+y,1/4+x,1/4+z' '3/4+y,3/4+x,3/4+z' '1/4-y,1/4-x,1/4-z' '3/4-y,3/4-x,3/4-z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn1 0.00000 0.25000 0.12500 Mn2 0.00000 0.00000 0.00000 Mn3 0.25000 0.21570 0.00000 Mn4 0.23180 0.48180 0.12500 Si 0.00000 0.25000 0.37500 O1 0.14870 0.85370 0.94530 O2 0.14570 0.07340 0.05690 O3 0.07870 0.13470 0.92500 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Mn1 0.01569 0.01569 0.00706 -0.01076 0.00000 0.00000 Mn2 0.00668 0.00789 0.00671 -0.00148 -0.00125 0.00027 Mn3 0.00762 0.00614 0.00724 0.00000 0.00107 0.00000 Mn4 0.00695 0.00695 0.00671 -0.00076 -0.00018 0.00018 Si 0.00583 0.00583 0.00847 0.00000 0.00000 0.00000 O1 0.01067 0.00843 0.00971 0.00076 -0.00044 -0.00018 O2 0.00695 0.00655 0.01024 -0.00103 -0.00712 0.00276 O3 0.01013 0.00695 0.01183 0.00031 -0.00205 0.00053