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: Na2MnFe2+Fe3+(PO4)3 (x = 0.50)
;
_database_code_amcsd 0003756
_chemical_formula_sum 'Na1.738 Mn Fe1.964 P3 O12'
_cell_length_a 11.944
_cell_length_b 12.560
_cell_length_c 6.480
_cell_angle_alpha 90
_cell_angle_beta 114.52
_cell_angle_gamma 90
_cell_volume 884.440
_exptl_crystal_density_diffrn      3.676
_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  -0.01130   0.25000   0.76000   0.01520
NaA1   0.50000   0.00000   0.00000   0.97800   0.02026
MnM1   0.00000   0.26900   0.25000   1.00000   0.01267
FeM2   0.27950   0.65730   0.36410   0.98200   0.01267
P1   0.00000  -0.28460   0.25000   1.00000   0.01267
P2   0.23700  -0.11060   0.12380   1.00000   0.01267
O1   0.45840   0.71390   0.53800   1.00000   0.01393
O2   0.10270   0.64330   0.23900   1.00000   0.01393
O3   0.33650   0.67030   0.11000   1.00000   0.01393
O4   0.12700   0.39920   0.32800   1.00000   0.01393
O5   0.22830   0.82560   0.32600   1.00000   0.01393
O6   0.32350   0.49470   0.38400   1.00000   0.01393