data_global _chemical_name_mineral 'Ferrostalderite' loop_ _publ_author_name 'Biagioni C' 'Bindi L' 'Nestola F' 'Cannon R' 'Roth P' 'Raber T' _journal_name_full 'Mineralogical Magazine' _journal_volume 80 _journal_year 2016 _journal_page_first 175 _journal_page_last 186 _publ_section_title ; Ferrostalderite, CuFe2TlAs2S6, a new mineral from Lengenbach, Switzerland: occurrence, crystal structure, and emphasis on the role of iron in sulfosalts ; _database_code_amcsd 0020619 _chemical_compound_source 'Lengenbach quarry, Binn Valley, Wallis, Switzerland' _chemical_formula_sum 'Cu.75 Zn.53 Fe1.36 Ag.3 Hg.06 Tl (As1.96 Sb.04) S6' _cell_length_a 9.8786 _cell_length_b 9.8786 _cell_length_c 10.8489 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1058.709 _exptl_crystal_density_diffrn 4.713 _symmetry_space_group_name_H-M 'I -4 2 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'x,-y,-z' '1/2+x,1/2-y,1/2-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 CuM1 0.00000 0.50000 0.25000 0.75000 0.02100 ZnM1 0.00000 0.50000 0.25000 0.25000 0.02100 FeM2 0.22410 0.50000 0.50000 0.68000 0.02560 AgM2 0.22410 0.50000 0.50000 0.15000 0.02560 ZnM2 0.22410 0.50000 0.50000 0.14000 0.02560 HgM2 0.22410 0.50000 0.50000 0.03000 0.02560 Tl 0.00000 0.00000 0.34889 1.00000 0.04790 As 0.26343 0.26343 0.24860 0.98000 0.01800 Sb 0.26343 0.26343 0.24860 0.02000 0.01800 S1 0.10170 0.34100 0.37900 1.00000 0.02070 S2 0.12870 0.12870 0.13000 1.00000 0.02130 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 CuM1 0.01490 0.01490 0.03330 0.00000 0.00000 0.00000 ZnM1 0.01490 0.01490 0.03330 0.00000 0.00000 0.00000 FeM2 0.03250 0.02220 0.02200 0.00000 0.00000 -0.00090 AgM2 0.03250 0.02220 0.02200 0.00000 0.00000 -0.00090 ZnM2 0.03250 0.02220 0.02200 0.00000 0.00000 -0.00090 HgM2 0.03250 0.02220 0.02200 0.00000 0.00000 -0.00090 Tl 0.05930 0.05930 0.02520 -0.01780 0.00000 0.00000 As 0.01720 0.01720 0.01960 -0.00030 0.00090 0.00090 Sb 0.01720 0.01720 0.01960 -0.00030 0.00090 0.00090 S1 0.02000 0.02010 0.02140 0.00540 0.00210 -0.00160 S2 0.02300 0.02300 0.01760 -0.00190 -0.00180 -0.00180