data_global _chemical_name_mineral 'Meurigite-K' loop_ _publ_author_name 'Kampf A R' 'Pluth J J' 'Chen Y S' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 1518 _journal_page_last 1524 _publ_section_title ; The crystal structure of meurigite ; _database_code_amcsd 0004452 _chemical_compound_source 'Santa Rita mine, Grant County, New Mexico' _chemical_formula_sum 'K.924 Fe7.452 P5.454 O37.435 H19.87' _cell_length_a 29.018 _cell_length_b 5.1892 _cell_length_c 19.695 _cell_angle_alpha 90 _cell_angle_beta 106.987 _cell_angle_gamma 90 _cell_volume 2836.288 _exptl_crystal_density_diffrn 2.904 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 K1 0.43090 0.54800 0.47430 0.26400 0.09600 K2 0.41500 0.30800 0.46870 0.19800 0.06100 Fe1 0.32570 0.41570 0.63740 0.93700 0.00630 Fe2 0.37850 0.38370 0.78940 0.93800 0.00650 Fe3 0.45040 0.13960 0.66880 0.92200 0.00580 Fe4 0.29520 0.18750 0.87940 0.92900 0.00700 P1 0.35140 0.93140 0.54940 0.92700 0.00510 P2 0.30530 0.90430 0.73900 0.86600 0.00400 P3 0.44590 0.88150 0.81190 0.93400 0.00580 O1 0.40410 0.99780 0.58460 1.00000 0.01410 O2 0.34180 0.93910 0.46880 1.00000 0.01270 O3 0.31820 0.12430 0.57200 1.00000 0.01520 O4 0.33980 0.65840 0.57100 1.00000 0.01560 O5 0.25290 0.87700 0.69570 1.00000 0.01540 O6 0.31170 0.91290 0.82040 1.00000 0.01460 O7 0.32690 0.16190 0.71990 1.00000 0.01180 O8 0.33470 0.66910 0.72370 1.00000 0.01050 O9 0.41670 0.09660 0.83280 1.00000 0.01610 O10 0.42990 0.62210 0.83440 1.00000 0.01390 O11 0.43790 0.87380 0.73120 1.00000 0.01340 O12 0.50040 0.91520 0.64730 1.00000 0.01540 O-H1 0.25640 0.46810 0.60520 1.00000 0.01460 O-H2 0.39910 0.38340 0.69200 1.00000 0.01100 O-H3 0.34440 0.42400 0.86090 1.00000 0.01100 O-H4 0.50000 0.30410 0.75000 1.00000 0.01270 Wat1 0.27700 0.47440 0.94500 1.00000 0.01550 Wat2 0.46360 0.42870 0.60620 1.00000 0.02510 Wat3 0.45150 0.98700 0.48070 0.90300 0.16700 Wat4 0.50000 0.00000 0.50000 0.62900 0.10600 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 K1 0.08700 0.15000 0.04100 0.05200 0.00100 0.00900 K2 0.07600 0.06900 0.03100 -0.03200 0.00500 0.01100 Fe1 0.00700 0.00400 0.00770 0.00060 0.00190 -0.00010 Fe2 0.00700 0.00430 0.00820 -0.00030 0.00220 0.00030 Fe3 0.00550 0.00440 0.00710 0.00010 0.00140 0.00000 Fe4 0.00680 0.00550 0.00880 -0.00080 0.00240 0.00050 P1 0.00510 0.00370 0.00640 -0.00040 0.00150 -0.00110 P2 0.00450 0.00090 0.00690 -0.00010 0.00240 -0.00060 P3 0.00590 0.00380 0.00760 -0.00080 0.00190 0.00090 O1 0.00800 0.01700 0.01600 -0.00200 0.00100 -0.00300 O2 0.01300 0.01400 0.01100 -0.00200 0.00300 -0.00100 O3 0.01600 0.01300 0.01700 0.00100 0.00500 -0.00600 O4 0.02100 0.00900 0.01700 -0.00200 0.00600 0.00400 O5 0.00900 0.01400 0.01900 0.00100 -0.00100 -0.00700 O6 0.02100 0.00700 0.01800 -0.00100 0.00900 0.00000 O7 0.01500 0.00800 0.01200 -0.00100 0.00400 0.00100 O8 0.01200 0.00900 0.01100 0.00100 0.00400 0.00100 O9 0.02100 0.01100 0.01700 0.00800 0.00700 0.00400 O10 0.01800 0.00800 0.01500 -0.00500 0.00400 0.00300 O11 0.01700 0.01200 0.01200 -0.00300 0.00400 0.00100 O12 0.00900 0.01900 0.01700 0.00100 0.00200 -0.00400 O-H1 0.00900 0.01200 0.02300 0.00100 0.00400 -0.00500 O-H2 0.01100 0.00800 0.01300 0.00100 0.00200 0.00100 O-H3 0.01300 0.00700 0.01400 -0.00200 0.00700 0.00000 O-H4 0.01200 0.01200 0.01200 0.00000 0.00000 0.00000 Wat1 0.01500 0.01600 0.01600 0.00500 0.00400 -0.00100 Wat2 0.03700 0.01600 0.01900 -0.01300 0.00400 0.00300 Wat3 0.06100 0.43200 0.01400 -0.09200 0.02100 -0.03000 Wat4 0.18300 0.12000 0.02500 0.00000 0.04500 0.02000