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: Na2Mn1.5Fe2+0.5Fe3+(PO4)3 (x = 0.25)
;
_database_code_amcsd 0003755
_chemical_formula_sum 'Na1.56 Mn1.538 Fe1.5 P3 O12'
_cell_length_a 11.995
_cell_length_b 12.596
_cell_length_c 6.495
_cell_angle_alpha 90
_cell_angle_beta 114.60
_cell_angle_gamma 90
_cell_volume 892.254
_exptl_crystal_density_diffrn      3.641
_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  -0.01300   0.25000   0.67800   0.01267
NaA1   0.50000   0.00000   0.00000   0.82200   0.02280
MnA1   0.50000   0.00000   0.00000   0.17800   0.02280
MnM1   0.00000   0.26760   0.25000   0.94000   0.01267
NaM1   0.00000   0.26760   0.25000   0.06000   0.01267
MnM2   0.27790   0.65570   0.36230   0.21000   0.00760
FeM2   0.27790   0.65570   0.36230   0.75000   0.00760
P1   0.00000  -0.28220   0.25000   1.00000   0.01140
P2   0.23430  -0.10740   0.13000   1.00000   0.01140
O1   0.45930   0.71090   0.53500   1.00000   0.00633
O2   0.10430   0.63830   0.24900   1.00000   0.00633
O3   0.33600   0.67020   0.11500   1.00000   0.00633
O4   0.12930   0.39800   0.33200   1.00000   0.00633
O5   0.22790   0.82570   0.31800   1.00000   0.00633
O6   0.32620   0.50170   0.38800   1.00000   0.00633