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 Mg0.49Co0.51 ; _database_code_amcsd 0021001 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Co.509 Mg.491) S O5 H2' _cell_length_a 6.943 _cell_length_b 7.614 _cell_length_c 7.639 _cell_angle_alpha 90 _cell_angle_beta 118.33 _cell_angle_gamma 90 _cell_volume 355.461 _exptl_crystal_density_diffrn 2.915 _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 0.50900 0.00840 Mg 0.00000 0.50000 0.00000 0.49100 0.00840 S 0.00000 0.15421 0.25000 1.00000 0.00750 O1 0.17421 0.04356 0.39740 1.00000 0.01450 O2 0.09426 0.26696 0.15154 1.00000 0.01300 O3 0.00000 0.63708 0.25000 1.00000 0.01160 H 0.10800 0.69600 0.28900 1.00000 0.04150 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 0.00760 0.00870 0.00870 0.00020 0.00350 0.00040 Mg 0.00760 0.00870 0.00870 0.00020 0.00350 0.00040 S 0.00580 0.00730 0.00890 0.00000 0.00300 0.00000 O1 0.00900 0.01640 0.01640 0.00400 0.00450 0.00700 O2 0.01300 0.01170 0.01720 0.00140 0.00950 0.00500 O3 0.01080 0.01290 0.01120 0.00000 0.00540 0.00000