data_global _chemical_name_mineral 'Kastningite' loop_ _publ_author_name 'Adiwidjaja G' 'Friese K' 'Klaska K H' 'Schluter J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 214 _journal_year 1999 _journal_page_first 465 _journal_page_last 468 _publ_section_title ; The crystal structure of kastningite (Mn,Fe,Mg)(H2O)4[Al2(OH)2(H2O)2(PO4)2]*2H2O - a new hydroxyl aquated orthophosphate hydrate mineral Note: changed sign of Oh1(y) ; _database_code_amcsd 0011083 _chemical_compound_source 'Waidhaus, Bavaria, Germany' _chemical_formula_sum 'Mn Al2 P2 O18 H18' _cell_length_a 10.205 _cell_length_b 10.504 _cell_length_c 7.010 _cell_angle_alpha 90.38 _cell_angle_beta 110.10 _cell_angle_gamma 71.82 _cell_volume 666.159 _exptl_crystal_density_diffrn 2.378 _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 Mn 0.27053 0.48833 0.65040 0.02700 Al1 0.00000 0.00000 0.00000 0.01710 Al2 0.50000 0.00000 0.00000 0.01960 Al3 0.25110 0.99470 0.50990 0.01570 P1 0.90820 0.18070 0.34110 0.01810 P2 0.45950 0.17190 0.59670 0.01860 O1 0.87310 0.33220 0.29760 0.02360 O2 0.06560 0.11920 0.49560 0.02110 O3 0.80150 0.15700 0.43540 0.02330 O4 0.88930 0.11680 0.13890 0.02240 O5 0.43110 0.32260 0.60660 0.02800 O6 0.53760 0.09560 0.81070 0.02450 O7 0.31320 0.14750 0.48700 0.02280 O8 0.56020 0.12630 0.47230 0.02250 O-h1 0.17470 0.01070 0.22170 0.02170 O-h2 0.32570 -0.00180 0.79860 0.02250 Ow1 0.01900 0.15190 0.86930 0.02590 Ow2 0.38940 0.16740 0.07890 0.02920 Ow3 0.63350 0.55740 0.02650 0.03790 Ow4 0.85670 0.63920 0.33640 0.03720 Ow5 0.85310 0.45610 0.67700 0.03440 Ow6 0.58880 0.39090 0.35850 0.03320 Ow7 0.09770 0.32410 0.14940 0.03200 Ow8 0.70450 0.34130 0.83880 0.03550 H1 0.77100 0.01200 0.83000 0.05000 H2 0.02300 0.14600 0.76000 0.05000 H3 0.04900 0.20000 0.93000 0.05000 H4 0.28600 -0.03500 0.85000 0.05000 H5 0.43000 0.17200 0.18000 0.05000 H6 0.35300 0.25200 0.01000 0.05000 H7 0.67000 0.46900 0.95000 0.05000 H8 0.55900 0.60200 0.97000 0.05000 H9 0.85500 0.70800 0.41000 0.05000 H10 0.93200 0.61400 0.30000 0.05000 H11 0.87700 0.51900 0.78000 0.05000 H12 0.82300 0.41500 0.78000 0.05000 H13 0.65500 0.30400 0.40000 0.05000 H14 0.54700 0.37300 0.46000 0.05000 H15 0.01700 0.34300 0.21000 0.05000 H16 0.16800 0.26400 0.23000 0.05000 H17 0.64000 0.32300 0.78000 0.05000 H18 0.75300 0.27000 0.92000 0.05000