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 = 0.75, NaMnFe.5In1.5(PO4)3
;
_database_code_amcsd 0002974
_chemical_formula_sum 'Na.55 Mn.597 In1.403 Fe.5 P2.5 O12'
_cell_length_a 12.222
_cell_length_b 12.845
_cell_length_c 6.507
_cell_angle_alpha 90
_cell_angle_beta 115.11
_cell_angle_gamma 90
_cell_volume 925.003
_exptl_crystal_density_diffrn      3.618
_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   0.00800   0.25000   0.05200   0.01267
NaA1   0.50000   0.00000   0.00000   0.49800   0.04686
MnM1   0.00000   0.26350   0.25000   0.37700   0.01267
InM1   0.00000   0.26350   0.25000   0.12300   0.01267
FeM2   0.28440   0.64970   0.37400   0.25000   0.00659
InM2   0.28440   0.64970   0.37400   0.64000   0.00659
MnM2   0.28440   0.64970   0.37400   0.11000   0.00659
P1   0.00000  -0.28980   0.25000   0.50000   0.00253
P2   0.24070  -0.11160   0.13290   1.00000   0.00253
O1   0.45600   0.71980   0.53600   1.00000   0.00127
O2   0.09720   0.63350   0.24200   1.00000   0.00127
O3   0.33250   0.66250   0.10500   1.00000   0.00127
O4   0.12910   0.39340   0.32800   1.00000   0.00127
O5   0.22520   0.81980   0.31100   1.00000   0.00127
O6   0.31300   0.49370   0.36900   1.00000   0.00127