data_global _chemical_name_mineral 'Magniotriplite' loop_ _publ_author_name 'Tadini C' _journal_name_full 'Bulletin de Mineralogie' _journal_volume 104 _journal_year 1981 _journal_page_first 677 _journal_page_last 680 _publ_section_title ; Magniotriplite: its crystal structure and relation to the triplite-triploidite group Note: IMA approved name for this mineral is wagnerite ; _database_code_amcsd 0012076 _chemical_compound_source 'a pegmatite of the Valmy, Alberes massif, Pyrenees, France' _chemical_formula_sum '(Fe.88 Mn.23 Mg.89) P O4.32 F.68 H.32' _cell_length_a 12.035 _cell_length_b 6.432 _cell_length_c 9.799 _cell_angle_alpha 90 _cell_angle_beta 108.12 _cell_angle_gamma 90 _cell_volume 720.914 _exptl_crystal_density_diffrn 3.625 _symmetry_space_group_name_H-M 'I 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+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' '-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 _atom_site_occupancy _atom_site_U_iso_or_equiv Fe1 0.19060 -0.02270 0.19640 0.56000 0.02039 Mn1 0.19060 -0.02270 0.19640 0.15000 0.02039 Mg1 0.19060 -0.02270 0.19640 0.29000 0.02039 Fe2 0.09170 0.14360 0.45530 0.32000 0.02077 Mn2 0.09170 0.14360 0.45530 0.08000 0.02077 Mg2 0.09170 0.14360 0.45530 0.60000 0.02077 P 0.07530 0.65170 0.38100 1.00000 0.01330 O1 0.05570 0.82940 0.47580 1.00000 0.02128 O2 0.96120 0.60290 0.26290 1.00000 0.02001 O3 0.16990 0.70990 0.31300 1.00000 0.02204 O4 0.11740 0.46150 0.47870 1.00000 0.01735 F1 0.25880 0.09920 0.41340 0.34000 0.02520 O-H1 0.25880 0.09920 0.41340 0.16000 0.02520 F2 0.28320 0.16980 0.33430 0.34000 0.02660 O-H2 0.28320 0.16980 0.33430 0.16000 0.02660 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 Fe1 0.01790 0.02515 0.01889 0.00596 0.00702 0.00668 Mn1 0.01790 0.02515 0.01889 0.00596 0.00702 0.00668 Mg1 0.01790 0.02515 0.01889 0.00596 0.00702 0.00668 Fe2 0.03181 0.01425 0.01845 0.00075 0.01133 -0.00091 Mn2 0.03181 0.01425 0.01845 0.00075 0.01133 -0.00091 Mg2 0.03181 0.01425 0.01845 0.00075 0.01133 -0.00091 P 0.01326 0.01404 0.01274 0.00000 0.00378 0.00030 O1 0.02983 0.01572 0.02065 0.00000 0.01079 -0.00273 O2 0.01657 0.02452 0.01538 -0.00410 0.00000 0.00061 O3 0.01922 0.02347 0.02592 0.00224 0.01079 0.00759 O4 0.01657 0.01656 0.01758 0.00112 0.00432 0.00364 F1 0.01458 0.03249 0.02505 0.00298 0.00108 -0.01305 O-H1 0.01458 0.03249 0.02505 0.00298 0.00108 -0.01305 F2 0.02784 0.01865 0.02505 -0.00335 -0.00324 -0.00486 O-H2 0.02784 0.01865 0.02505 -0.00335 -0.00324 -0.00486