data_global
_chemical_name_mineral 'Graftonite'
loop_
_publ_author_name
'Nord A G'
'Ericsson T'
_journal_name_full 'American Mineralogist'
_journal_volume 67 
_journal_year 1982
_journal_page_first 826
_journal_page_last 832
_publ_section_title
;
 The cation distribution in synthetic (Fe,Mn)3(PO4)2 graftonite-type solid
 solutions
;
_database_code_amcsd 0000872
_chemical_formula_sum '(Fe1.5 Mn1.5) P2 O8'
_cell_length_a 8.810
_cell_length_b 11.370
_cell_length_c 6.155
_cell_angle_alpha 90
_cell_angle_beta 99.07
_cell_angle_gamma 90
_cell_volume 608.836
_exptl_crystal_density_diffrn      3.885
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Fe1   0.95100   0.12800   0.85400   0.50000
Fe2   0.73500   0.05800   0.31400   0.50000
Fe3   0.38100   0.20400   0.14200   0.50000
Mn1   0.95100   0.12800   0.85400   0.50000
Mn2   0.73500   0.05800   0.31400   0.50000
Mn3   0.38100   0.20400   0.14200   0.50000
P1   0.08300   0.14600   0.37900   1.00000
P2   0.62100   0.10000   0.80600   1.00000
O1   0.07800   0.06000   0.14700   1.00000
O2   0.47100   0.19400   0.81100   1.00000
O3   0.92300   0.18800   0.38200   1.00000
O4   0.72000   0.11200   0.61300   1.00000
O5   0.23300   0.23200   0.33500   1.00000
O6   0.70100   0.08100   0.01800   1.00000
O7   0.15300   0.05600   0.60100   1.00000
O8   0.52700  -0.05100   0.76000   1.00000