data_global _chemical_name_mineral 'Triplite' loop_ _publ_author_name 'Rea J R' 'Kostiner E' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 28 _journal_year 1972 _journal_page_first 2525 _journal_page_last 2529 _publ_section_title ; The crystal structure of manganese fluorophosphate, Mn2(PO4)F ; _database_code_amcsd 0009440 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mn2 P O4 F' _cell_length_a 13.410 _cell_length_b 6.5096 _cell_length_c 10.094 _cell_angle_alpha 90 _cell_angle_beta 119.99 _cell_angle_gamma 90 _cell_volume 763.169 _exptl_crystal_density_diffrn 3.896 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 Mn1 0.05582 0.26660 0.99515 Mn2 0.34421 0.39570 0.64860 P 0.17571 0.40582 0.80601 O1 0.30690 0.08160 0.58280 O2 0.21010 0.14410 0.18800 O3 0.41570 0.03670 0.35820 O4 0.36770 0.28260 0.14510 F 0.01400 0.09700 0.39180 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 0.00718 0.01076 0.00759 0.00253 0.00365 0.00164 Mn2 0.00847 0.00569 0.00860 -0.00061 0.00468 0.00023 P 0.00431 0.00429 0.00503 -0.00034 0.00175 -0.00012 O1 0.01087 0.00708 0.00747 -0.00088 0.00288 0.00239 O2 0.00690 0.01316 0.01177 0.00188 0.00643 0.00150 O3 0.00847 0.00910 0.00581 -0.00176 0.00010 0.00138 O4 0.01025 0.00517 0.01189 -0.00111 0.00694 0.00012 F 0.01148 0.01696 0.02075 -0.00034 0.00998 -0.00657