data_global _chemical_name_mineral 'Switzerite' loop_ _publ_author_name 'Zanazzi P F' 'Leavens P B' 'White J S' _journal_name_full 'American Mineralogist' _journal_volume 71 _journal_year 1986 _journal_page_first 1224 _journal_page_last 1228 _publ_section_title ; Crystal structure of switzerite, Mn3(PO4)2.7H2O and its relationship to metaswitzerite, Mn3(PO4)2.4H2O ; _database_code_amcsd 0001047 _chemical_formula_sum 'Mn3 P2 O15 H7' _cell_length_a 8.528 _cell_length_b 13.166 _cell_length_c 11.812 _cell_angle_alpha 90 _cell_angle_beta 110.05 _cell_angle_gamma 90 _cell_volume 1245.868 _exptl_crystal_density_diffrn 2.526 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Mn1 -0.04950 0.88310 -0.02180 ? Mn2 0.05610 0.61650 -0.01720 ? Mn3 0.58270 0.12430 0.33630 ? P1 0.33460 0.94420 0.16670 ? P2 0.18590 0.78860 -0.17460 ? O1 0.40130 0.00880 0.27830 0.02050 O2 -0.06350 0.53250 0.08560 0.01360 O3 0.84790 0.66960 0.19640 0.01830 O4 0.64860 0.52620 0.10020 0.00940 O5 0.08950 0.87080 -0.13740 0.01470 O6 0.08320 0.74990 -0.29950 0.02050 O7 0.64850 0.16510 0.17510 0.01250 O8 0.22460 0.69970 -0.08410 0.01090 O-H9 0.31350 0.56980 0.11740 0.01270 O-H10 -0.04630 0.61110 -0.51910 0.04170 O-H11 -0.27150 0.72800 -0.45740 0.04920 O-H12 -0.29090 0.51560 -0.40360 0.04520 O-H13 -0.15520 0.93460 0.62870 0.04100 O-H14 0.05370 0.74770 0.09430 0.01350 O-H15 0.43030 0.66510 0.33970 0.05680 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 Mn1 0.00480 0.00300 0.03050 -0.00120 0.00820 -0.00030 Mn2 0.00450 0.00190 0.03180 0.00060 0.01110 0.00070 Mn3 0.01170 0.01010 0.03060 -0.00050 0.00940 0.00180 P1 0.00220 0.00560 0.02690 -0.00040 0.00860 0.00180 P2 0.00240 0.00560 0.02300 0.00020 0.00660 -0.00010