data_global _chemical_name_mineral 'Kingite' loop_ _publ_author_name 'Wallwork K S' 'Pring A' 'Taylor M R' 'Hunter B A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 42 _journal_year 2004 _journal_page_first 135 _journal_page_last 141 _publ_section_title ; The network of hydrogen bonding in kingite, as revealed by a neutron-diffraction investigation of its deuterated analogue, Al3(PO4)2F3.7D2O ; _database_code_amcsd 0005931 _chemical_formula_sum 'Al3 P2 F3 O15 D14' _cell_length_a 9.318 _cell_length_b 10.092 _cell_length_c 7.108 _cell_angle_alpha 97.61 _cell_angle_beta 100.56 _cell_angle_gamma 95.97 _cell_volume 645.640 _exptl_crystal_density_diffrn 2.408 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Al1 0.68130 0.84970 0.61350 0.01013 Al2 0.44980 0.71070 0.17770 0.01013 Al3 0.23070 0.62720 -0.27850 0.01013 P1 0.33670 0.86490 0.52180 0.02026 P2 0.57200 0.60020 -0.19450 0.02026 F1 0.60040 0.73850 0.38760 0.01013 F2 0.29660 0.69860 -0.02360 0.01013 F3 0.04340 0.63310 -0.26050 0.01013 O1 0.49480 0.90080 0.63710 0.01013 O2 0.72030 0.99980 0.49180 0.01013 O3 0.68010 0.70220 0.75000 0.01013 O4 0.74250 0.96490 0.86120 0.01013 O5 0.88080 0.82680 0.61310 0.01013 O6 0.31930 0.78920 0.31690 0.01013 O7 0.56840 0.63730 0.01890 0.01013 O8 0.37360 0.53650 0.22380 0.01013 O9 0.50740 0.88050 0.10590 0.01013 O10 0.24160 0.79810 -0.35800 0.01013 O11 0.41830 0.59600 -0.31880 0.01013 O12 0.17370 0.55800 -0.54970 0.01013 O13 0.19110 0.44690 -0.23380 0.01013 O14 0.90080 0.94340 0.21110 0.01013 O15 0.01710 0.70650 0.13380 0.01013 D4a 0.74920 0.06420 0.86140 0.05066 D4b 0.81540 0.95840 0.97790 0.05066 D5a 0.96450 0.90480 0.65070 0.05066 D5b 0.93770 0.75370 0.66180 0.05066 D9a 0.51170 0.97080 0.18980 0.05066 D9b 0.58600 0.88940 0.02800 0.05066 D12a 0.09450 0.48280 -0.61190 0.05066 D12b 0.24290 0.53660 -0.63790 0.05066 D13a 0.09810 0.40640 -0.20470 0.05066 D13b 0.26840 0.40290 -0.16000 0.05066 D14a 0.83770 0.94610 0.31230 0.05066 D14b 0.94800 0.85980 0.19940 0.05066 D15a 0.12440 0.71980 0.20110 0.05066 D15b 0.03400 0.69210 -0.00300 0.05066