data_global _chemical_name_mineral 'Dietrichite' loop_ _publ_author_name 'Ballirano P' 'Bellatreccia F' 'Grubessi O' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 1043 _journal_page_last 1049 _publ_section_title ; New crystal-chemical and structural data of dietrichite, ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group ; _database_code_amcsd 0007025 _chemical_formula_sum 'Zn.954 Al1.97 S4 O38 H44' _cell_length_a 6.1757 _cell_length_b 24.262 _cell_length_c 21.206 _cell_angle_alpha 90 _cell_angle_beta 100.436 _cell_angle_gamma 90 _cell_volume 3124.837 _exptl_crystal_density_diffrn 1.905 _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 Zn 0.37000 0.59570 0.08030 0.95400 0.01400 Al(1) 0.44100 0.61280 0.42420 0.97000 0.01600 Al(2) 0.69200 0.34540 0.19570 1.02000 0.01600 S(1) 0.08700 0.24310 0.52610 1.00000 0.01800 S(2) 0.96400 0.46440 0.38860 1.00000 0.01800 S(3) 0.14000 0.19610 0.25710 1.00000 0.01800 S(4) 0.16500 0.47450 0.10450 1.00000 0.01800 O(1) 0.13600 0.21400 0.46940 1.00000 0.03500 O(2) 0.01700 0.29990 0.50800 1.00000 0.03500 O(3) -0.08900 0.21460 0.55100 1.00000 0.03500 O(4) 0.28700 0.24400 0.57620 1.00000 0.03500 O(5) 0.99300 0.43600 0.32930 1.00000 0.03500 O(6) 0.89400 0.52170 0.37200 1.00000 0.03500 O(7) 0.79300 0.43600 0.41700 1.00000 0.03500 O(8) 0.17300 0.46460 0.43520 1.00000 0.03500 O(9) 0.13200 0.18800 0.32570 1.00000 0.03500 O(10) 0.22000 0.25280 0.24900 1.00000 0.03500 O(11) -0.08200 0.18840 0.21800 1.00000 0.03500 O(12) 0.29400 0.15600 0.23600 1.00000 0.03500 O(13) 0.15700 0.44260 0.16390 1.00000 0.03500 O(14) 0.23600 0.43830 0.05600 1.00000 0.03500 O(15) -0.05700 0.49620 0.07900 1.00000 0.03500 O(16) 0.32300 0.52070 0.12000 1.00000 0.03500 Wat(1) 0.69700 0.58600 0.12200 1.00000 0.03500 Wat(2) 0.32400 0.63400 0.16500 1.00000 0.03500 Wat(3) 0.43400 0.67300 0.04300 1.00000 0.03500 Wat(4) 0.04400 0.60900 0.04400 1.00000 0.03500 Wat(5) 0.40600 0.55900 -0.00400 1.00000 0.03500 Wat(6) 0.49100 0.55900 0.36600 1.00000 0.03500 Wat(7) 0.15300 0.62000 0.37500 1.00000 0.03500 Wat(8) 0.53600 0.66800 0.37100 1.00000 0.03500 Wat(9) 0.36800 0.66900 0.48000 1.00000 0.03500 Wat(10) 0.73300 0.60600 0.47200 1.00000 0.03500 Wat(11) 0.35700 0.56000 0.47800 1.00000 0.03500 Wat(12) 0.52900 0.34800 0.11200 1.00000 0.03500 Wat(13) 0.94300 0.31700 0.16800 1.00000 0.03500 Wat(14) 0.60300 0.27100 0.20800 1.00000 0.03500 Wat(15) 0.83900 0.34400 0.28100 1.00000 0.03500 Wat(16) 0.44400 0.37200 0.22400 1.00000 0.03500 Wat(17) 0.78500 0.41800 0.18700 1.00000 0.03500 Wat(18) 0.80800 0.25900 0.36400 1.00000 0.03500 Wat(19) 0.19900 0.54000 0.26400 1.00000 0.03500 Wat(20) 0.66500 0.50700 0.23400 1.00000 0.03500 Wat(21) 0.40500 0.38900 0.34600 1.00000 0.03500 Wat(22) 0.41600 0.29100 0.41300 1.00000 0.03500