data_global _chemical_name_mineral 'Alluaudite' loop_ _publ_author_name 'Hatert F' 'Rebbouh L' 'Hermann R P' 'Fransolet A M' 'Long G J' 'Grandjean F' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 653 _journal_page_last 662 _publ_section_title ; Crystal chemistry of the hydrothermally synthesized Na2(Mn1-xFe2+x)2Fe3+(PO4)3 alluaudite-type solid solution Sample: Na2Fe2+2Fe3+(PO4)3 (x = 1.00) ; _database_code_amcsd 0003758 _chemical_formula_sum 'Na1.702 Fe3 P3 O12' _cell_length_a 11.849 _cell_length_b 12.539 _cell_length_c 6.486 _cell_angle_alpha 90 _cell_angle_beta 114.51 _cell_angle_gamma 90 _cell_volume 876.819 _exptl_crystal_density_diffrn 3.724 _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 NaA2* 0.00000 -0.01170 0.25000 0.75400 0.01267 NaA1 0.50000 0.00000 0.00000 0.94800 0.00507 FeM1 0.00000 0.26880 0.25000 1.00000 0.01646 FeM2 0.28190 0.65800 0.36740 1.00000 0.01748 P1 0.00000 -0.28660 0.25000 1.00000 0.00507 P2 0.23300 -0.10970 0.12300 1.00000 0.00507 O1 0.45800 0.71960 0.54100 1.00000 0.00633 O2 0.09890 0.63540 0.23900 1.00000 0.00633 O3 0.33270 0.66680 0.10900 1.00000 0.00633 O4 0.13000 0.39760 0.32900 1.00000 0.00633 O5 0.22300 0.82750 0.32100 1.00000 0.00633 O6 0.32520 0.50200 0.38900 1.00000 0.00633