data_global _chemical_name_mineral 'Cobaltkieserite' loop_ _publ_author_name 'Bechtold A' 'Wildner M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 28 _journal_year 2016 _journal_page_first 43 _journal_page_last 52 _publ_section_title ; Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.14Co0.86 ; _database_code_amcsd 0021002 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Co.858 Mg.142) S O5 H2' _cell_length_a 6.963 _cell_length_b 7.601 _cell_length_c 7.633 _cell_angle_alpha 90 _cell_angle_beta 118.50 _cell_angle_gamma 90 _cell_volume 355.027 _exptl_crystal_density_diffrn 3.145 _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_occupancy _atom_site_U_iso_or_equiv Co 0.00000 0.50000 0.00000 0.85800 0.00820 Mg 0.00000 0.50000 0.00000 0.14200 0.00820 S 0.00000 0.15379 0.25000 1.00000 0.00740 O1 0.17299 0.04288 0.39906 1.00000 0.01440 O2 0.09611 0.26676 0.15324 1.00000 0.01370 O3 0.00000 0.63822 0.25000 1.00000 0.01130 H 0.10600 0.70400 0.29800 1.00000 0.03210 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 0.00770 0.00860 0.00820 0.00010 0.00360 0.00050 Mg 0.00770 0.00860 0.00820 0.00010 0.00360 0.00050 S 0.00590 0.00730 0.00850 0.00000 0.00300 0.00000 O1 0.00900 0.01610 0.01620 0.00380 0.00470 0.00730 O2 0.01270 0.01140 0.01700 0.00160 0.00940 0.00510 O3 0.01120 0.01230 0.01070 0.00000 0.00550 0.00000