data_global
_chemical_name_mineral 'Alluaudite'
loop_
_publ_author_name
'Hatert F'
'Hermann R P'
'Long G J'
'Fransolet A M'
'Grandjean F'
_journal_name_full 'American Mineralogist'
_journal_volume 88 
_journal_year 2003
_journal_page_first 211
_journal_page_last 222
_publ_section_title
;
 An X-ray Rietveld, infrared, and Mossbauer spectral study of the
 NaMn(Fe1-xInx)2(PO4)3 alluaudite-type solid solution
 Sample: x = 0.50, NaMnFeIn(PO4)3
;
_database_code_amcsd 0002972
_chemical_formula_sum 'Na.549 Mn.564 In.936 Fe P2.5 O12'
_cell_length_a 12.131
_cell_length_b 12.746
_cell_length_c 6.470
_cell_angle_alpha 90
_cell_angle_beta 114.84
_cell_angle_gamma 90
_cell_volume 907.850
_exptl_crystal_density_diffrn      3.485
_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   0.05900   0.01267
NaA1   0.50000   0.00000   0.00000   0.49000   0.04179
MnM1   0.00000   0.26310   0.25000   0.39000   0.01013
InM1   0.00000   0.26310   0.25000   0.11000   0.01013
FeM2   0.28310   0.65040   0.37310   0.50000   0.00418
InM2   0.28310   0.65040   0.37310   0.41300   0.00418
MnM2   0.28310   0.65040   0.37310   0.08700   0.00418
P1   0.00000  -0.28860   0.25000   0.50000   0.00380
P2   0.24070  -0.10990   0.13060   1.00000   0.00380
O1   0.45490   0.71990   0.53400   1.00000   0.00253
O2   0.09770   0.63550   0.24200   1.00000   0.00253
O3   0.33040   0.66250   0.10400   1.00000   0.00253
O4   0.12780   0.39420   0.32400   1.00000   0.00253
O5   0.22340   0.82120   0.31200   1.00000   0.00253
O6   0.31220   0.49700   0.37000   1.00000   0.00253