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: Single crystal X-ray diffraction ; _database_code_amcsd 0020459 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Zn S O11 H14' _cell_length_a 11.728 _cell_length_b 11.973 _cell_length_c 6.772 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 950.920 _exptl_crystal_density_diffrn 2.009 _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 0.10610 0.03990 0.02400 S 0.72660 0.18300 0.49080 0.02300 O1 0.68510 0.07530 0.42630 0.04200 O2 0.85110 0.18600 0.48290 0.03300 O3 0.68860 0.20470 0.69240 0.03700 O4 0.68030 0.27130 0.36310 0.03100 Ow1 0.26080 0.17070 0.00470 0.03300 Ow2 0.47120 0.25150 0.19390 0.02600 Ow3 0.46820 0.17260 0.77310 0.03400 Ow4 0.58530 0.04880 0.07370 0.03900 Ow5 0.37300 0.96000 0.89090 0.03200 Ow6 0.36420 0.03600 0.29680 0.04100 Ow7 0.50970 0.93760 0.56570 0.03800 H13 0.24600 0.22900 0.08500 0.07000 H14 0.24600 0.19300 0.90800 0.04000 H22 0.41200 0.27600 0.28400 0.07000 H24 0.53600 0.25000 0.24600 0.06000 H32 0.43600 0.21400 0.71000 0.05000 H33 0.54200 0.19500 0.73800 0.08000 H41 0.62900 0.06800 0.19700 0.13000 H42 0.61500 0.00400 0.02600 0.06000 H54 0.36900 0.90300 0.96200 0.07000 H57 0.41500 0.94500 0.82400 0.04000 H65 0.31000 0.03500 0.31400 0.04000 H67 0.40400 0.99500 0.37800 0.10000 H71 0.56800 0.97500 0.56000 0.06000 H72 0.51800 0.87400 0.51500 0.08000