data_global _chemical_name_mineral 'Heterosite' loop_ _publ_author_name 'Eventoff W' 'Martin R' 'Peacor D R' _journal_name_full 'American Mineralogist' _journal_volume 57 _journal_year 1972 _journal_page_first 45 _journal_page_last 51 _publ_section_title ; The crystal structure of heterosite ; _database_code_amcsd 269 _chemical_compound_source 'Fletcher Quarry, North Groton, New Hampshire, USA' _chemical_formula_sum '(Fe.65 Mn.35) P O4' _cell_length_a 5.83 _cell_length_b 9.79 _cell_length_c 4.769 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 272.194 _exptl_crystal_density_diffrn 3.673 _symmetry_space_group_name_H-M 'P m n b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,1/2+y,1/2-z' '-x,1/2-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe 0.25 0.277 0.9449 0.65 Mn 0.25 0.277 0.9449 0.35 P 0.25 0.0935 0.3983 1.0 O1 0.25 0.1176 0.7131 1.0 O2 0.25 0.4417 0.1614 1.0 O3 0.0461 0.1684 0.2513 1.0 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 Fe 0.00603 0.00388 0.00542 0.0 0.0 -0.00166 Mn 0.00603 0.00388 0.00542 0.0 0.0 -0.00166 P 0.00654 0.00437 0.0023 0.0 0.0 0.00024 O1 0.0124 0.00971 0.0083 0.0 0.0 0.00355 O2 0.01171 0.01262 0.0053 0.0 0.0 0.00426 O3 0.00844 0.00923 0.00461 0.00289 -0.00056 -0.00071