data_global _chemical_name_mineral 'Seamanite' loop_ _publ_author_name 'Moore P B' 'Ghose S' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 1527 _journal_page_last 1538 _publ_section_title ; A novel face-sharing octahedral trimer in the crystal structure of seamanite ; _database_code_amcsd 258 _chemical_formula_sum 'Mn3 P B (O10 H6)' _cell_length_a 7.811 _cell_length_b 15.114 _cell_length_c 6.691 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 789.909 _exptl_crystal_density_diffrn 3.133 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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 0.2783 0.4758 0.25 0.00671 Mn2 0.3507 0.6406 0.5016 0.00735 P 0.6931 0.5542 0.25 0.0038 B 0.0072 0.3146 0.25 0.00798 O-H1 0.4615 0.3688 0.25 0.01153 O-H2 0.1862 0.6165 0.25 0.01013 O-H3 0.0399 0.4099 0.25 0.01279 O-H4 -0.1846 0.3027 0.25 0.00874 O-H5 0.081 0.2739 0.0742 0.01418 O6 0.7246 0.4961 0.0648 0.01153 O7 0.5042 0.5845 0.25 0.0114 O8 0.8112 0.634 0.25 0.01216