data_9005746
_chemical_name 'Alluaudite'
loop_
_publ_author_name
'Redhammer G J'
'Tippelt G'
'Bernroider M'
'Lottermoser W'
'Amthauer G'
'Roth G'
_journal_name_full "European Journal of Mineralogy"
_journal_volume 17
_journal_year 2005
_journal_page_first 915
_journal_page_last 932
_publ_section_title
;
 Hagendorfite (Na,Ca)MnFe2(PO4)3 from type locality Hagendorf (Bavaria, Germany)
 Crystal structure determination and 57Fe Mossbauer spectroscopy
 Locality: Buranga, Rwanda
 Sample: T = 298K
;
_chemical_formula_sum 'Na.84 Ca.32 Fe2.48 Al.52 P3 O12'
_cell_length_a 11.9941
_cell_length_b 12.5256
_cell_length_c 6.3973
_cell_angle_alpha 90
_cell_angle_beta 114.257
_cell_angle_gamma 90
_cell_volume 876.235
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
NaA1   0.50000   0.00000   0.00000   0.68000   0.03710
CaA1   0.50000   0.00000   0.00000   0.32000   0.03710
NaA2*   0.00000  -0.01360   0.25000   0.16000   0.03870
FeM1   0.00000   0.25980   0.25000   1.00000   0.01220
FeM2   0.28130   0.65210   0.37210   0.74000   0.00930
AlM2   0.28130   0.65210   0.37210   0.26000   0.00930
P1   0.00000  -0.28520   0.25000   1.00000   0.00960
P2   0.24280  -0.10860   0.13190   1.00000   0.00970
O1   0.45310   0.71500   0.53300   1.00000   0.01250
O2   0.09930   0.63970   0.24120   1.00000   0.01630
O3   0.32750   0.66400   0.10240   1.00000   0.01330
O4   0.12110   0.39800   0.31310   1.00000   0.01630
O5   0.22590   0.82210   0.31850   1.00000   0.01340
O6   0.31050   0.50230   0.37450   1.00000   0.01700