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: Na2Mn0.5Fe2+1.5Fe3+(PO4)3 (x = 0.75)
;
_database_code_amcsd 0003757
_chemical_formula_sum 'Na1.762 Mn.442 Fe2.48 P3 O12'
_cell_length_a 11.894
_cell_length_b 12.536
_cell_length_c 6.471
_cell_angle_alpha 90
_cell_angle_beta 114.49
_cell_angle_gamma 90
_cell_volume 878.043
_exptl_crystal_density_diffrn      3.693
_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  -0.01100   0.25000   0.76200   0.02406
NaA1   0.50000   0.00000   0.00000   1.00000   0.02786
MnM1   0.00000   0.26870   0.25000   0.44200   0.00380
FeM1   0.00000   0.26870   0.25000   0.50000   0.00380
FeM2   0.28030   0.65760   0.36550   0.99000   0.01127
P1   0.00000  -0.28450   0.25000   1.00000   0.01267
P2   0.23750  -0.10960   0.12430   1.00000   0.01267
O1   0.45750   0.71290   0.53600   1.00000   0.01520
O2   0.10340   0.64190   0.24200   1.00000   0.01520
O3   0.33470   0.66710   0.10900   1.00000   0.01520
O4   0.12780   0.40120   0.32900   1.00000   0.01520
O5   0.22700   0.82610   0.32300   1.00000   0.01520
O6   0.32150   0.49960   0.38290   1.00000   0.01520