data_global _chemical_name_mineral 'Cobaltkieserite' loop_ _publ_author_name 'Wildner M' 'Giester G' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1991 _journal_year 1991 _journal_page_first 296 _journal_page_last 306 _publ_section_title ; The crystal structures of kieserite-type compounds. I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn) ; _database_code_amcsd 0014853 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Co S O5 H2' _cell_length_a 6.960 _cell_length_b 7.586 _cell_length_c 7.621 _cell_angle_alpha 90 _cell_angle_beta 118.56 _cell_angle_gamma 90 _cell_volume 353.415 _exptl_crystal_density_diffrn 3.252 _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 Co 0.00000 0.50000 0.00000 ? S 0.00000 0.15371 0.25000 ? O1 0.17250 0.04290 0.40040 ? O2 0.09690 0.26670 0.15400 ? O3 0.00000 0.63830 0.25000 ? H 0.11000 0.71400 0.28400 0.04200 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Co 0.01300 0.01480 0.01460 0.00010 0.00620 0.00050 S 0.01160 0.01340 0.01480 0.00000 0.00570 0.00000 O1 0.01490 0.02160 0.02230 0.00360 0.00720 0.00740 O2 0.01820 0.01720 0.02350 0.00200 0.01230 0.00550 O3 0.01700 0.01770 0.01730 0.00000 0.00850 0.00000