data_global _chemical_name_mineral 'Dwornikite' loop_ _publ_author_name 'Le Fur Y' 'Coing-Boyat J' 'Bassi G' _journal_name_full 'Comptes Rendus de l'Academie des Sciences Paris' _journal_volume C262 _journal_year 1966 _journal_page_first 632 _journal_page_last 635 _publ_section_title ; Structure des sulfates monohydrates, monocliniques, des metaux de transition, MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) ; _database_code_amcsd 0021019 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ni S O5 H2' _cell_length_a 6.827 _cell_length_b 7.595 _cell_length_c 7.400 _cell_angle_alpha 90 _cell_angle_beta 116.892 _cell_angle_gamma 90 _cell_volume 342.205 _exptl_crystal_density_diffrn 3.353 _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_U_iso_or_equiv Ni 0.00000 0.50000 0.00000 0.00101 S 0.00000 0.09600 0.25000 0.00393 O1 0.20000 -0.01600 0.35400 0.01482 O2 0.01900 0.20300 0.09400 0.01963 Wat 0.00000 0.63600 0.25000 0.01077