data_global _chemical_name_mineral 'Dorallcharite' loop_ _publ_author_name 'Balic-Zunic T' 'Moelo Y' 'Loncar Z' 'Micheelsen H' _journal_name_full 'European Journal of Mineralogy' _journal_volume 6 _journal_year 1994 _journal_page_first 255 _journal_page_last 263 _publ_section_title ; Dorallcharite, Tl0.8K0.2Fe3(SO4)2(OH)6, a new member of the jarosite-alunite family ; _database_code_amcsd 0006535 _chemical_formula_sum '(Tl.8 K.2) Fe3 S2 O14 H6' _cell_length_a 7.3301 _cell_length_b 7.3301 _cell_length_c 17.6631 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 821.897 _exptl_crystal_density_diffrn 3.837 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 Tl 0.00000 0.00000 0.00000 0.80000 0.05826 K 0.00000 0.00000 0.00000 0.20000 0.05826 Fe 0.00000 0.50000 0.50000 1.00000 0.05573 S 0.00000 0.00000 0.31040 1.00000 0.05953 O1 0.00000 0.00000 0.38900 1.00000 0.02786 O2 0.22800 -0.22800 0.93800 1.00000 0.07219 O-H 0.13720 -0.13720 0.13440 1.00000 0.04306