data_global _chemical_name_mineral 'Hagendorfite' loop_ _publ_author_name 'Redhammer G J' 'Tippelt G' 'Bernroider M' 'Lottermoser W' 'Amthauer G' 'Roth G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 915 _journal_page_last 932 _publ_section_title ; Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany): Crystal structure determination and 57Fe Mossbauer spectroscopy Note: alluaudite structure Sample: T = 100 K ; _database_code_amcsd 0007137 _chemical_compound_source 'Hagendorf, Bavaria, Germany' _chemical_formula_sum 'Na1.83 Ca.17 Mn Fe2 P3 O12' _cell_length_a 11.9492 _cell_length_b 12.5548 _cell_length_c 6.4966 _cell_angle_alpha 90 _cell_angle_beta 114.816 _cell_angle_gamma 90 _cell_volume 884.623 _exptl_crystal_density_diffrn 3.757 _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 _atom_site_occupancy _atom_site_U_iso_or_equiv NaA1 0.50000 0.00000 0.00000 0.83000 0.04810 CaA1 0.50000 0.00000 0.00000 0.17000 0.04810 NaA2* 0.00000 -0.01920 0.25000 1.00000 0.02410 MnM1 0.00000 0.26720 0.25000 1.00000 0.01040 FeM2 0.27900 0.65800 0.36500 1.00000 0.00940 P1 0.00000 -0.28850 0.25000 1.00000 0.01030 P2 0.23440 -0.10800 0.12730 1.00000 0.01090 O1 0.45570 0.71800 0.53710 1.00000 0.01220 O2 0.09860 0.63530 0.24190 1.00000 0.01920 O3 0.33610 0.66470 0.10280 1.00000 0.01500 O4 0.12820 0.40350 0.31990 1.00000 0.01700 O5 0.22330 0.82380 0.31430 1.00000 0.01520 O6 0.32840 0.50010 0.38560 1.00000 0.01620