data_global
_chemical_name_mineral 'Allanpringite'
loop_
_publ_author_name
'Kolitsch U'
'Bernhardt H J'
'Lengauer C L'
'Blass G'
'Tillmanns E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 793
_journal_page_last 801
_publ_section_title
;
 Allanpringite, Fe3(PO4)2(OH)3*5H2O, a new ferric iron phosphate from Germany,
 and its close relation to wavellite
;
_database_code_amcsd 0007186
_chemical_compound_source 'Grube mark, Esserhausen, Weilburg/Lahn, Taunus, Hesse, Germany'
_chemical_formula_sum '(Fe2.75 Al.25) P2 O16 H13'
_cell_length_a 9.777
_cell_length_b 7.358
_cell_length_c 17.830
_cell_angle_alpha 90
_cell_angle_beta 92.19
_cell_angle_gamma 90
_cell_volume 1281.739
_exptl_crystal_density_diffrn      2.546
_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
Fe1   0.27493   0.61850   0.24870   0.92000   0.01710
Al1   0.27493   0.61850   0.24870   0.08000   0.01710
Fe2   0.74539   0.64220   0.48712   0.91000   0.01580
Al2   0.74539   0.64220   0.48712   0.09000   0.01580
Fe3   0.75612   0.14250   0.48182   0.92000   0.01730
Al3   0.75612   0.14250   0.48182   0.08000   0.01730
P1   0.43720   0.61040   0.41119   1.00000   0.01770
P2   0.05480   0.09690   0.40389   1.00000   0.01860
O1   0.58920   0.56400   0.41670   1.00000   0.02140
O2   0.35400   0.43760   0.42330   1.00000   0.01750
O3   0.40360   0.76040   0.46800   1.00000   0.02350
O4   0.40200   0.68560   0.33140   1.00000   0.02800
O5   0.09580   0.26260   0.44960   1.00000   0.02320
O6   0.07890   0.12530   0.32130   1.00000   0.03500
O7   0.13260  -0.07570   0.42700   1.00000   0.01950
O8   0.90170   0.06510   0.41200   1.00000   0.01870
O-H9   0.21000   0.86270   0.22540   1.00000   0.03000
Wat10   0.12300   0.54700   0.16770   1.00000   0.03600
Wat11   0.11240   0.61960   0.33130   1.00000   0.04600
O-H12   0.83040   0.39530   0.48090   1.00000   0.02210
O-H13   0.67340   0.89500   0.48230   1.00000   0.02570
Wat14   0.84810   0.70770   0.38860   1.00000   0.02600
Wat15   0.64000   0.20780   0.37960   1.00000   0.02800
Wat16a   0.81100   0.23800   0.25130   0.50000   0.05000
Wat16b   0.77500   0.11400   0.24960   0.50000   0.05900
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 0.01840 0.00900 0.02380 -0.00010 -0.00130 0.00150
Al1 0.01840 0.00900 0.02380 -0.00010 -0.00130 0.00150
Fe2 0.01620 0.00800 0.02310 0.00010 -0.00030 0.00060
Al2 0.01620 0.00800 0.02310 0.00010 -0.00030 0.00060
Fe3 0.01760 0.00770 0.02650 -0.00090 0.00150 -0.00060
Al3 0.01760 0.00770 0.02650 -0.00090 0.00150 -0.00060
P1 0.01730 0.01380 0.02200 0.00030 0.00010 -0.00060
P2 0.01980 0.01270 0.02320 0.00140 0.00120 0.00260