data_global _chemical_name_mineral 'Fehrite' loop_ _publ_author_name 'Schluter J' 'Malcherek T' 'Mihailova B' 'Rewitzer C' 'Hochleitner R' 'Muller D' 'Gunther A' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen' _journal_volume 197 _journal_year 2021 _journal_page_first 1 _journal_page_last 10 _publ_section_title ; Fehrite, MgCu4(SO4)2(OH)6*6H2O, the magnesium analogue of ktenasite from the Casualidad mine near Banos de Alhamilla, Almeria, Spain ; _database_code_amcsd 0020965 _chemical_compound_source 'Casualidad mine, Banos de Alhamilla, Almeria, Spain' _chemical_formula_sum '(Mg.672 Zn.328) Cu4 S2 O20 H18' _cell_length_a 5.6062 _cell_length_b 6.1294 _cell_length_c 23.834 _cell_angle_alpha 90 _cell_angle_beta 95.290 _cell_angle_gamma 90 _cell_volume 815.511 _exptl_crystal_density_diffrn 2.827 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-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 MgM1 0.00000 0.00000 0.00000 0.67200 0.02100 ZnM1 0.00000 0.00000 0.00000 0.32800 0.02100 CuM2 -0.00841 0.09883 0.24890 1.00000 0.01560 CuM3 0.49926 -0.15159 0.24745 1.00000 0.01610 S 0.36250 0.05660 0.37373 1.00000 0.02070 O1 0.33640 0.09410 0.31144 1.00000 0.02000 O2 0.60610 0.10290 0.20898 1.00000 0.01810 O3 0.84300 0.35210 0.28882 1.00000 0.01790 O4 0.16220 0.34540 0.21469 1.00000 0.01720 O5 0.12880 -0.00670 0.39157 1.00000 0.03280 O6 0.44460 0.26120 0.40212 1.00000 0.03420 O7 0.53970 -0.11640 0.38650 1.00000 0.03130 O8 0.91320 0.06270 0.08205 1.00000 0.03270 O9 0.32160 0.15910 0.01790 1.00000 0.02920 O10 0.14110 -0.29630 0.02945 1.00000 0.03110 H2 0.55300 0.12800 0.17200 1.00000 0.08200 H3 0.82600 0.35500 0.32730 1.00000 0.08200 H4 0.16100 0.35700 0.17560 1.00000 0.08200 H8a 0.90300 0.20100 0.09600 1.00000 0.08200 H8b 0.77800 -0.01000 0.09700 1.00000 0.08200 H9a 0.39700 0.21800 -0.01100 1.00000 0.08200 H9b 0.37800 0.19600 0.05600 1.00000 0.08200 HI0a 0.08700 -0.32400 0.06500 1.00000 0.08200 H10b 0.22100 -0.38700 0.00800 1.00000 0.08200 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 MgM1 0.02090 0.02130 0.02080 -0.00080 0.00220 0.00060 ZnM1 0.02090 0.02130 0.02080 -0.00080 0.00220 0.00060 CuM2 0.01130 0.00880 0.02710 0.00000 0.00380 0.00010 CuM3 0.01080 0.01030 0.02760 -0.00110 0.00450 -0.00010 S 0.02310 0.02020 0.01880 0.00260 0.00180 -0.00230 O1 0.02100 0.01700 0.02110 -0.00080 0.00090 0.00080 O2 0.02000 0.01440 0.02110 0.00120 0.00650 0.00050 O3 0.01170 0.01800 0.02480 -0.00060 0.00450 0.00050 O4 0.01220 0.01700 0.02330 -0.00100 0.00520 0.00250 O5 0.02700 0.03800 0.03600 -0.00600 0.01550 -0.00130 O6 0.03100 0.03200 0.03800 -0.00050 -0.00530 -0.01410 O7 0.03900 0.02800 0.02700 0.01280 -0.00260 0.00140 O8 0.03800 0.02900 0.03200 -0.00500 0.00950 -0.00400 O9 0.02800 0.03000 0.02900 -0.00630 0.00090 -0.00370 O10 0.03300 0.02600 0.03500 0.00460 0.00230 0.00590