data_global _chemical_name_mineral 'Zincobotryogen' loop_ _publ_author_name 'Susse P' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 24 _journal_year 1968 _journal_page_first 760 _journal_page_last 767 _publ_section_title ; Die kristallstruktur des botryogens ; _database_code_amcsd 0009339 _chemical_compound_source 'Rammelsberg mine near Goslar, Germany' _chemical_formula_sum 'Zn.47 Mn.25 Mg.2 Fe1.08 S2 O16 H15' _cell_length_a 10.526 _cell_length_b 17.872 _cell_length_c 7.136 _cell_angle_alpha 90 _cell_angle_beta 100.13 _cell_angle_gamma 90 _cell_volume 1321.502 _exptl_crystal_density_diffrn 2.236 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 Zn2 0.40780 0.18210 0.34850 0.47000 0.02064 Mn2 0.40780 0.18210 0.34850 0.25000 0.02064 Mg2 0.40780 0.18210 0.34850 0.20000 0.02064 Fe2 0.40780 0.18210 0.34850 0.08000 0.02064 Fe11 0.00000 0.00000 0.00000 1.00000 0.01811 Fe12 0.00000 0.00000 0.50000 1.00000 0.01938 S1 0.09290 0.13850 0.27990 1.00000 0.00241 S2 0.70850 0.06850 0.88450 1.00000 0.00317 O1 0.01100 0.10590 0.11060 1.00000 0.01064 O2 0.21620 0.16130 0.23300 1.00000 0.01862 O3 0.11750 0.08070 0.42900 1.00000 0.01596 O4 0.02470 0.20190 0.34400 1.00000 0.02495 O5 0.74320 0.11480 0.72910 1.00000 0.01874 O6 0.80750 0.00850 0.93090 1.00000 0.01558 O7 0.70770 0.11280 0.05420 1.00000 0.02381 O8 0.58290 0.03380 0.82190 1.00000 0.01836 O-H9 0.02190 0.04320 0.75100 1.00000 0.01330 Wat1 0.45160 0.11610 0.12730 1.00000 0.02292 Wat2 0.59750 0.20550 0.45820 1.00000 0.02558 Wat3 0.33740 0.24730 0.55700 1.00000 0.02292 Wat4 0.83180 0.06170 0.42130 1.00000 0.02001 Wat5 0.91290 0.22460 0.67190 1.00000 0.02394 Wat6 0.20680 0.16060 0.82440 1.00000 0.03204 Wat7 0.40360 0.08880 0.52640 1.00000 0.03128