data_global _chemical_name_mineral 'Alluaudite' loop_ _publ_author_name 'Hatert F' 'Long G J' 'Hautot D' 'Fransolet A-M' 'Delwiche J' 'Hubin-Franskin M J' 'Grandjean F' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 31 _journal_year 2004 _journal_page_first 487 _journal_page_last 506 _publ_section_title ; A structural, magnetic, and Mossbauer spectral study of several Na-Mn-Fe-bearing alluaudites Sample: #1, synthetic ; _database_code_amcsd 0008874 _chemical_formula_sum 'Na1.896 Mn1.911 Fe P3 O12' _cell_length_a 12.048 _cell_length_b 12.623 _cell_length_c 6.511 _cell_angle_alpha 90 _cell_angle_beta 114.58 _cell_angle_gamma 90 _cell_volume 900.474 _exptl_crystal_density_diffrn 3.609 _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 -0.01450 0.25000 0.82200 0.01267 NaA1 0.50000 0.00000 0.00000 0.97000 0.01267 Mn2+A1 0.50000 0.00000 0.00000 0.01500 0.01267 Mn2+M1 0.00000 0.27420 0.25000 0.89600 0.00633 NaM1 0.00000 0.27420 0.25000 0.10400 0.00633 Mn2+M2 0.28250 0.65800 0.35900 0.50000 0.00633 Fe3+M2 0.28250 0.65800 0.35900 0.50000 0.00633 P1 0.00000 -0.28850 0.25000 1.00000 0.00633 P2 0.23250 -0.11100 0.13000 1.00000 0.00633 O1 0.46590 0.72440 0.55700 1.00000 0.01267 O2 0.09390 0.63600 0.21500 1.00000 0.01267 O3 0.32560 0.66140 0.10800 1.00000 0.01267 O4 0.13660 0.40800 0.32900 1.00000 0.01267 O5 0.22890 0.83350 0.34200 1.00000 0.01267 O6 0.32380 0.49830 0.39100 1.00000 0.01267