data_global
_chemical_name_mineral 'Ferrowyllieite'
loop_
_publ_author_name
'Moore P B'
'Molin-Case J'
_journal_name_full 'American Mineralogist'
_journal_volume 59 
_journal_year 1974
_journal_page_first 280
_journal_page_last 290
_publ_section_title
;
 Contribution to pegmatite phosphate giant crystal paragenesis: II. The crystal
 chemistry of wyllieite, Na2Fe2Al[PO4]3, a primary phase
;
_database_code_amcsd 0000397
_chemical_compound_source 'Victory mine pegmatite, near Custer, South Dakota, USA'
_chemical_formula_sum 'Na2.31 Ca.5 Mn.5 Fe4 Mg.5 Al1.5 P6 O24'
_cell_length_a 11.868
_cell_length_b 12.382
_cell_length_c 6.354
_cell_angle_alpha 90
_cell_angle_beta 114.52
_cell_angle_gamma 90
_cell_volume 849.512
_exptl_crystal_density_diffrn      3.700
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-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
Na1a   0.50000   0.00000   0.00000   0.91000   0.01520
Ca1b   0.49030   0.00130   0.50450   0.25000   0.00203
Mn1b   0.49030   0.00130   0.50450   0.25000   0.00203
Na2  -0.00040  -0.02180   0.24850   0.70000   0.01520
Fe1  -0.00050   0.26380   0.23660   0.75000   0.00988
Mg1  -0.00050   0.26380   0.23660   0.25000   0.00988
Fe2a   0.27260  -0.35160   0.36260   1.00000   0.01381
Al2b   0.21870  -0.16640   0.64340   0.75000   0.00760
Fe2b   0.21870  -0.16640   0.64340   0.25000   0.00760
P1  -0.00720  -0.28540   0.25920   1.00000   0.00823
P2a   0.23810  -0.11430   0.14570   1.00000   0.00925
P2b   0.23760   0.09710   0.61750   1.00000   0.01026
O1a   0.45310  -0.28890   0.55090   1.00000   0.01355
O1b   0.44980  -0.71700   0.01670   1.00000   0.01241
O2a   0.08200  -0.37370   0.24290   1.00000   0.01608
O2b   0.11040  -0.64900   0.71990   1.00000   0.01811
O3a   0.34320  -0.34700   0.11140   1.00000   0.01646
O3b   0.31890  -0.67330   0.58660   1.00000   0.01659
O4a   0.12190   0.40200   0.28070   1.00000   0.01393
O4b   0.12880  -0.41480   0.85360   1.00000   0.01722
O5a   0.22160  -0.18400   0.32880   1.00000   0.01520
O5b   0.23800  -0.83360   0.81770   1.00000   0.01659
O6a   0.33100  -0.50830   0.38370   1.00000   0.01950
O6b   0.32260  -0.51270   0.88390   1.00000   0.02077