data_global
_chemical_name_mineral 'Stanekite'
loop_
_publ_author_name
'Keller P'
'Lissner F'
'Schleid T'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 113
_journal_page_last 118
_publ_section_title
;
 The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju,
 Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O
 Note: Uiso(O4) corrected
;
_database_code_amcsd 0007141
_chemical_compound_source 'Okatjimukuju, Karibib, Namibia'
_chemical_formula_sum 'Fe1.1 Mn.81 P O5'
_cell_length_a 11.835
_cell_length_b 6.328
_cell_length_c 9.983
_cell_angle_alpha 90
_cell_angle_beta 105.81
_cell_angle_gamma 90
_cell_volume 719.363
_exptl_crystal_density_diffrn      4.005
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Fe1   0.20327   0.01560   0.19583   0.48000   0.02780
Mn1   0.20327   0.01560   0.19583   0.49000   0.02780
Fe2   0.11265   0.13956   0.45334   0.62000   0.02170
Mn2   0.11265   0.13956   0.45334   0.32000   0.02170
P   0.07306   0.65435   0.37918   1.00000   0.01900
O1   0.05300   0.83810   0.47010   1.00000   0.02900
O2   0.45970   0.39600   0.26710   1.00000   0.02550
O3   0.17050   0.70640   0.31090   1.00000   0.03330
O4   0.11250   0.46400   0.47610   1.00000   0.02300
O5   0.26310   0.15650   0.37430   1.00000   0.03450
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe1 0.02130 0.03650 0.02180 0.00700 -0.00030 -0.00020
Mn1 0.02130 0.03650 0.02180 0.00700 -0.00030 -0.00020
Fe2 0.02680 0.01350 0.02090 0.00030 -0.00020 0.00020
Mn2 0.02680 0.01350 0.02090 0.00030 -0.00020 0.00020
P 0.01810 0.01480 0.02130 -0.00010 0.00080 -0.00020
O1 0.04130 0.01930 0.02300 0.00330 0.00320 -0.00190
O2 0.02140 0.02850 0.02190 0.00410 -0.00170 0.00610
O3 0.03070 0.03360 0.03560 -0.00550 0.00920 0.00060
O4 0.02490 0.01810 0.02300 0.00250 0.00120 0.00440
O5 0.03140 0.03630 0.02830 0.00510 -0.00500 -0.01160