data_global _chemical_name_mineral 'Goslarite' loop_ _publ_author_name 'Anderson J L' 'Peterson R C' 'Swaison I P' _journal_name_full 'Mineralogical Magazine' _journal_volume 69 _journal_year 2005 _journal_page_first 259 _journal_page_last 271 _publ_section_title ; Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Combined neutron powder X-ray refinement ; _database_code_amcsd 0020460 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Zn S O11 H14' _cell_length_a 11.8176 _cell_length_b 12.0755 _cell_length_c 6.8270 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 974.236 _exptl_crystal_density_diffrn 1.961 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Zn 0.42230 0.10600 0.04020 0.01900 S 0.72710 0.18290 0.49080 0.02000 O1 0.68440 0.07340 0.42410 0.03600 O2 0.85150 0.18590 0.48170 0.02900 O3 0.69000 0.20700 0.69600 0.03400 O4 0.67940 0.27250 0.35970 0.02300 Ow1 0.26090 0.17390 0.00270 0.02800 Ow2 0.47180 0.25130 0.19730 0.02000 Ow3 0.46900 0.17360 0.76810 0.02700 Ow4 0.58790 0.04730 0.07400 0.03100 Ow5 0.37420 0.95640 0.88830 0.02300 Ow6 0.36320 0.03520 0.30030 0.03100 Ow7 0.48900 0.43890 0.93460 0.03500 H13 0.22400 0.21100 0.11500 0.10800 H14 0.24100 0.21900 0.89300 0.10800 H22 0.42000 0.27400 0.28700 0.10800 H24 0.54700 0.25100 0.22400 0.10800 H32 0.41700 0.21200 0.68800 0.10800 H33 0.54200 0.18800 0.74600 0.10800 H41 0.63100 0.04800 0.20300 0.10800 H42 0.61100 0.03000 0.02100 0.10800 H54 0.35600 0.89900 0.97200 0.10800 H57 0.41300 0.91700 0.77700 0.10800 H65 0.29500 0.01700 0.32800 0.10800 H67 0.41100 0.96800 0.34900 0.10800 H71 0.58200 0.97700 0.57400 0.10800 H72 0.53700 0.86600 0.56000 0.10800