data_global _chemical_name_mineral 'Ferricopiapite' loop_ _publ_author_name 'Fanfani L' 'Nunzi A' 'Zanazzi P F' 'Zanzari A R' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 314 _journal_page_last 322 _publ_section_title ; The copiapite problem: The crystal structure of a ferrian copiapite ; _database_code_amcsd 0000315 _chemical_compound_source 'Coso Hot Spring, Inyo County, California, USA' _chemical_formula_sum 'Fe4.43 Al.23 Zn.03 S6 O46 H42' _cell_length_a 7.390 _cell_length_b 18.213 _cell_length_c 7.290 _cell_angle_alpha 93.67 _cell_angle_beta 102.05 _cell_angle_gamma 99.27 _cell_volume 942.181 _exptl_crystal_density_diffrn 2.161 _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_occupancy Fe1 0.00000 0.00000 0.00000 0.43000 Al1 0.00000 0.00000 0.00000 0.23000 Zn1 0.00000 0.00000 0.00000 0.03000 Fe2 0.78480 0.31350 0.55240 1.00000 Fe3 0.59900 0.67180 0.80580 1.00000 S1 0.83250 0.73980 0.21950 1.00000 S2 0.81700 0.41750 0.21880 1.00000 S3 0.64020 0.19270 0.19530 1.00000 O1 0.73670 0.67500 0.07140 1.00000 O2 0.69300 0.76980 0.29630 1.00000 O3 0.04830 0.29210 0.63220 1.00000 O4 0.05270 0.20220 0.85470 1.00000 O5 0.62010 0.39100 0.10850 1.00000 O6 0.82960 0.48860 0.32080 1.00000 O7 0.87740 0.36260 0.34740 1.00000 O8 0.93500 0.42280 0.08420 1.00000 O9 0.56550 0.11590 0.16870 1.00000 O10 0.50990 0.76370 0.86350 1.00000 O11 0.79210 0.21310 0.09800 1.00000 O12 0.71850 0.21280 0.40530 1.00000 O-H13 0.46260 0.66040 0.54540 1.00000 Wat14 0.68590 0.26990 0.76730 1.00000 Wat15 0.86860 0.41420 0.71380 1.00000 Wat16 0.20760 0.94740 0.06650 1.00000 Wat17 0.69330 0.57400 0.75980 1.00000 Wat18 0.01580 0.98660 0.73380 1.00000 Wat19 0.83010 0.72820 0.73090 1.00000 Wat20 0.17130 0.09260 0.04730 1.00000 Wat21 0.76600 0.91960 0.43810 1.00000 Wat22 0.52800 0.56080 0.27670 1.00000 Wat23 0.63560 0.07430 0.59490 1.00000 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 0.04047 0.05184 0.04231 0.00773 0.00971 0.00386 Al1 0.04047 0.05184 0.04231 0.00773 0.00971 0.00386 Zn1 0.04047 0.05184 0.04231 0.00773 0.00971 0.00386 Fe2 0.02305 0.04050 0.02600 0.00451 0.00204 0.00321 Fe3 0.02331 0.04212 0.02472 0.00580 0.00281 0.00257 S1 0.01844 0.03888 0.01733 0.00580 0.00230 0.00386 S2 0.01947 0.03240 0.02192 0.00387 0.00537 0.00578 S3 0.02305 0.03078 0.02013 0.00709 0.00179 0.00193 O1 0.03612 0.03402 0.02523 0.00387 -0.00485 0.00257 O2 0.02433 0.05670 0.03950 0.00837 0.01124 0.00257 O3 0.02024 0.05994 0.03619 0.00966 -0.00153 0.00900 O4 0.03817 0.04698 0.03925 0.00193 0.00358 0.00771 O5 0.02433 0.05346 0.01325 0.00000 0.00537 0.00064 O6 0.02613 0.02916 0.03823 0.00966 0.00332 0.01028 O7 0.02177 0.04212 0.02141 0.00902 0.00281 0.00900 O8 0.02126 0.05346 0.02421 0.00837 0.00767 0.00578 O9 0.06686 0.04374 0.02396 0.01482 -0.00026 -0.00129 O10 0.02203 0.04698 0.02549 0.00773 -0.00026 0.00064 O11 0.02408 0.06480 0.02370 0.00580 0.00996 0.00707 O12 0.03048 0.03240 0.02778 0.01095 0.00230 0.00707 O-H13 0.02126 0.04860 0.03007 0.01095 0.00077 0.01028 Wat14 0.02869 0.04536 0.02319 -0.00193 0.00409 0.00321 Wat15 0.03561 0.05022 0.03823 0.01417 0.00767 0.00771 Wat16 0.09555 0.10693 0.09914 0.01482 -0.00230 -0.01671 Wat17 0.02920 0.04050 0.03466 0.01160 0.00256 0.00578 Wat18 0.12808 0.11503 0.09404 0.00580 0.02964 0.00193 Wat19 0.03253 0.04374 0.02931 0.00193 0.01150 -0.00386 Wat20 0.07736 0.08587 0.12922 0.00773 -0.00562 0.00964 Wat21 0.08069 0.07939 0.08181 0.00837 0.01303 -0.01028 Wat22 0.03561 0.04536 0.03670 0.01417 0.01840 0.00000 Wat23 0.13423 0.09883 0.10959 0.02577 0.02197 0.02763