data_global _chemical_name_mineral 'Vendidaite' loop_ _publ_author_name 'Chukanov N V' 'Krivovichev S V' 'Chernyatieva A P' _journal_name_full 'The Canadian Mineralogist' _journal_volume 51 _journal_year 2013 _journal_page_first 559 _journal_page_last 568 _publ_section_title ; Vendidaite, Al2(SO4)(OH)3Cl*6H2O, a new mineral from La Vendida copper mine, Antofagasta region, Chile ; _database_code_amcsd 0020045 _chemical_compound_source 'La Vendida copper mine, Antofagasta region, Chile' _chemical_formula_sum '(Al1.96 Fe.04) S Cl O13 H15' _cell_length_a 11.9246 _cell_length_b 16.134 _cell_length_c 7.4573 _cell_angle_alpha 90 _cell_angle_beta 125.815 _cell_angle_gamma 90 _cell_volume 1163.431 _exptl_crystal_density_diffrn 1.974 _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 Al 0.31915 -0.17116 0.60126 0.98000 0.01191 Fe3+ 0.31915 -0.17116 0.60126 0.02000 0.01191 S 0.00000 0.10237 0.25000 1.00000 0.01429 Cl 0.50000 0.06935 0.75000 1.00000 0.02098 O-h1 0.35676 -0.27909 0.56550 1.00000 0.01480 Ow2 0.24890 -0.06937 0.62790 1.00000 0.01750 Ow3 0.34579 -0.19724 0.87920 1.00000 0.02080 O-h4 0.50000 -0.13153 0.75000 1.00000 0.01560 O5 0.03589 0.15476 0.44000 1.00000 0.02340 Ow6 0.28253 -0.12493 0.33280 1.00000 0.02020 O7 0.11995 0.05040 0.31530 1.00000 0.02580 H1 0.20800 -0.03150 0.51700 1.00000 0.05500 H2 0.38800 -0.24960 0.94800 1.00000 0.04400 H3 0.50000 -0.08400 0.75000 1.00000 0.02800 H4 0.39300 -0.16710 0.97000 1.00000 0.05400 H5 0.20100 -0.12620 0.20600 1.00000 0.04500 H6 0.34900 -0.11000 0.32100 1.00000 0.07100 H7 0.41400 -0.29350 0.57300 1.00000 0.05800 H8 0.20700 -0.06900 0.68400 1.00000 0.06500 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 Al 0.01010 0.01417 0.01160 -0.00024 0.00643 -0.00004 Fe3+ 0.01010 0.01417 0.01160 -0.00024 0.00643 -0.00004 S 0.01340 0.01740 0.01270 0.00000 0.00799 0.00000 Cl 0.02240 0.02120 0.02310 0.00000 0.01540 0.00000 O-h1 0.01080 0.01660 0.01760 0.00040 0.00860 -0.00120 Ow2 0.02010 0.01730 0.02010 0.00390 0.01450 0.00280 Ow3 0.02660 0.01940 0.01540 -0.00070 0.01170 0.00040 O-h4 0.01220 0.01380 0.01850 0.00000 0.00770 0.00000 O5 0.02240 0.02740 0.01780 -0.00390 0.01040 -0.00820 Ow6 0.01590 0.03140 0.01320 -0.00280 0.00840 0.00310 O7 0.02620 0.03130 0.02910 0.01330 0.02130 0.01380