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