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: Na2Mn2Fe3+(PO4)3 (x = 0.00) ; _database_code_amcsd 0003754 _chemical_formula_sum 'Na1.862 Mn2.02 Fe P3 O12' _cell_length_a 12.024 _cell_length_b 12.629 _cell_length_c 6.515 _cell_angle_alpha 90 _cell_angle_beta 114.58 _cell_angle_gamma 90 _cell_volume 899.660 _exptl_crystal_density_diffrn 3.651 _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 -0.02100 0.25000 0.92200 0.03040 NaA1 0.50000 0.00000 0.00000 0.82000 0.01520 MnA1 0.50000 0.00000 0.00000 0.18000 0.01520 MnM1 0.00000 0.26930 0.25000 0.88000 0.03040 NaM1 0.00000 0.26930 0.25000 0.12000 0.03040 MnM2 0.27790 0.65590 0.35900 0.48000 0.00633 Fe3+M2 0.27790 0.65590 0.35900 0.50000 0.00633 P1 0.00000 -0.28700 0.25000 1.00000 0.02660 P2 0.23440 -0.10560 0.13400 1.00000 0.02660 O1 0.46300 0.71000 0.55300 1.00000 0.01140 O2 0.08900 0.63180 0.24700 1.00000 0.01140 O3 0.33400 0.67100 0.11400 1.00000 0.01140 O4 0.13700 0.39800 0.34000 1.00000 0.01140 O5 0.23200 0.82300 0.31900 1.00000 0.01140 O6 0.32700 0.50300 0.39300 1.00000 0.01140