data_global _chemical_name_mineral 'Cannizzarite' loop_ _publ_author_name 'Borisov S V' 'Pervukhina N V' 'Magarill S A' 'Kuratieva N V' 'Bryzgalov I A' 'Mozgova N N' 'Chaplygin I V' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 387 _journal_page_last 395 _publ_section_title ; The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano, Iturup Island, Kuriles, Russia ; _database_code_amcsd 0019197 _chemical_compound_source 'Kudriavy Volcano, Iturup Island, Kuriles, Russia' _chemical_formula_sum 'Pb3.792 Cd.812 Bi6.188 In.208 S13.539 Se.461' _cell_length_a 15.4172 _cell_length_b 4.0582 _cell_length_c 20.8071 _cell_angle_alpha 90 _cell_angle_beta 98.031 _cell_angle_gamma 90 _cell_volume 1289.051 _exptl_crystal_density_diffrn 6.865 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-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 Pb1 0.62120 -0.25000 0.53800 0.79200 0.01700 Pb2 -0.12590 -0.25000 0.23600 1.00000 0.02900 Pb5 -0.12470 -0.25000 0.44220 1.00000 0.03000 Pb6 0.10940 -0.75000 0.16800 1.00000 0.02900 Cd4 0.07300 0.25000 0.35870 0.16300 0.01900 Cd9 0.38090 -0.25000 -0.04420 0.23900 0.01900 Cd10 0.36670 0.75000 0.29140 0.22100 0.01600 Cd11 0.09010 0.25000 -0.04290 0.18900 0.01800 Bi3 0.60370 -0.25000 0.20700 1.00000 0.02400 Bi4 0.07300 0.25000 0.35870 0.83700 0.01900 Bi7 0.61250 0.25000 0.37250 1.00000 0.02200 Bi8 0.37580 0.25000 0.12440 1.00000 0.02600 Bi9 0.38090 -0.25000 -0.04420 0.76100 0.01900 Bi10 0.36670 0.75000 0.29140 0.77900 0.01600 Bi11 0.09010 0.25000 -0.04290 0.81100 0.01800 In1 0.62120 -0.25000 0.53800 0.20800 0.01700 S1 0.71970 0.25000 0.48650 1.00000 0.01200 S2 0.48670 0.25000 0.24820 1.00000 0.01900 S3 0.08710 -0.25000 0.05700 1.00000 0.01400 S4 0.28400 0.25000 -0.00170 1.00000 0.02100 S5 0.70770 -0.75000 0.16870 1.00000 0.00900 S6 0.70590 -0.25000 0.32640 0.82800 0.02200 S7 0.26990 0.25000 0.33750 0.71100 0.03000 S8 0.27500 0.75000 0.17110 1.00000 0.01400 S9 0.06060 -0.25000 0.45180 1.00000 0.01400 S10 0.05950 -0.25000 0.25980 1.00000 0.01400 S11 0.49570 -0.25000 0.41820 1.00000 0.01800 S12 0.49400 -0.25000 0.08320 1.00000 0.01900 S13 -0.10060 0.25000 0.34080 1.00000 0.01300 S14 -0.07430 -0.75000 0.13800 1.00000 0.01600 Se6 0.70590 -0.25000 0.32640 0.17200 0.02200 Se7 0.26990 0.25000 0.33750 0.28900 0.03000 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 Pb1 0.02000 0.01600 0.01500 0.00400 0.00000 0.00000 Pb2 0.03600 0.02300 0.02800 0.00300 0.00000 0.00000 Pb5 0.04000 0.02400 0.02800 0.00900 0.00000 0.00000 Pb6 0.03500 0.02200 0.03200 0.01000 0.00000 0.00000 Cd4 0.02300 0.01800 0.01800 0.00400 0.00000 0.00000 Cd9 0.02100 0.01800 0.01900 0.00500 0.00000 0.00000 Cd10 0.01700 0.01500 0.01600 0.00300 0.00000 0.00000 Cd11 0.02300 0.01500 0.01700 0.00400 0.00000 0.00000 Bi3 0.02600 0.02500 0.02200 0.00400 0.00000 0.00000 Bi4 0.02300 0.01800 0.01800 0.00400 0.00000 0.00000 Bi7 0.02400 0.02200 0.01800 0.00300 0.00000 0.00000 Bi8 0.02800 0.02500 0.02500 0.00500 0.00000 0.00000 Bi9 0.02100 0.01800 0.01900 0.00500 0.00000 0.00000 Bi10 0.01700 0.01500 0.01600 0.00300 0.00000 0.00000 Bi11 0.02300 0.01500 0.01700 0.00400 0.00000 0.00000 In1 0.02000 0.01600 0.01500 0.00400 0.00000 0.00000 S1 0.01200 0.00900 0.01400 0.00400 0.00000 0.00000 S2 0.02000 0.01900 0.01800 0.00400 0.00000 0.00000 S3 0.01900 0.01100 0.01100 0.00300 0.00000 0.00000 S4 0.01800 0.01700 0.03000 0.00800 0.00000 0.00000 S5 0.00800 0.00900 0.00800 0.00000 0.00000 0.00000 S6 0.02500 0.02100 0.02100 0.00500 0.00000 0.00000 S7 0.02100 0.02400 0.04800 0.01500 0.00000 0.00000 S8 0.01200 0.01300 0.01500 0.00100 0.00000 0.00000 S9 0.01900 0.01200 0.01100 -0.00100 0.00000 0.00000 S10 0.02000 0.01300 0.00700 0.00200 0.00000 0.00000 S11 0.02200 0.01500 0.01800 0.00600 0.00000 0.00000 S12 0.02200 0.01700 0.01900 0.00600 0.00000 0.00000 S13 0.01800 0.01000 0.01200 0.00600 0.00000 0.00000 S14 0.02300 0.01000 0.01700 0.00800 0.00000 0.00000 Se6 0.02500 0.02100 0.02100 0.00500 0.00000 0.00000 Se7 0.02100 0.02400 0.04800 0.01500 0.00000 0.00000