data_global _chemical_name_mineral 'Uchucchacuaite' loop_ _publ_author_name 'Yang H' 'Downs R T' 'Evans S H' 'Feinglos M N' 'Tait K T' _journal_name_full 'American Mineralogist' _journal_volume 96 _journal_year 2011 _journal_page_first 1186 _journal_page_last 1189 _publ_section_title ; Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R070760 ; _database_code_amcsd 0018372 _chemical_compound_source 'Inakuraishi mine, Shakotan peninsula, Shiribeshi, Hokkaido Island, Japan' _chemical_formula_sum 'Pb3 Mn.919 Ag1.041 Sb5.041 S12' _cell_length_a 19.3462 _cell_length_b 12.7251 _cell_length_c 8.7472 _cell_angle_alpha 90 _cell_angle_beta 90.017 _cell_angle_gamma 90 _cell_volume 2153.406 _exptl_crystal_density_diffrn 5.499 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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 0.25586 0.90166 0.38972 1.00000 0.02268 Pb2 0.24825 0.91460 -0.09672 1.00000 0.02481 Pb3 0.05180 0.90146 0.62997 1.00000 0.02017 MnM2 0.13211 0.14680 0.12588 0.91900 0.02146 AgM2 0.13211 0.14680 0.12588 0.04100 0.02146 SbM2 0.13211 0.14680 0.12588 0.04100 0.02146 Ag 0.14163 0.17629 0.62300 1.00000 0.04260 Sb1 0.35223 0.12524 0.64425 1.00000 0.01701 Sb2 0.44411 0.86875 0.61565 1.00000 0.01603 Sb3 0.12878 0.64473 0.38365 1.00000 0.01556 Sb4 -0.05359 0.64154 0.63753 1.00000 0.01644 Sb5 0.05487 0.88067 0.14325 1.00000 0.01530 S1 0.39626 0.99419 -0.16734 1.00000 0.01814 S2 -0.00740 0.74981 0.84770 1.00000 0.01975 S3 0.23527 0.04558 -0.35350 1.00000 0.01868 S4 0.33928 0.76619 0.60375 1.00000 0.01837 S5 0.10245 0.98885 0.93949 1.00000 0.01907 S6 0.16491 0.76177 0.59025 1.00000 0.01746 S7 0.40142 0.00063 0.42987 1.00000 0.01598 S8 -0.01713 0.76437 0.43022 1.00000 0.01735 S9 0.25571 0.06084 0.13438 1.00000 0.01763 S10 -0.16697 0.72155 0.65435 1.00000 0.01791 S11 0.09300 0.00653 0.33590 1.00000 0.01991 S12 0.15966 0.76696 0.16719 1.00000 0.01658 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 0.02419 0.02214 0.02172 -0.00335 0.00297 -0.00268 Pb2 0.02801 0.02039 0.02603 -0.00215 -0.00251 0.00026 Pb3 0.02071 0.02176 0.01803 0.00080 -0.00013 -0.00048 MnM2 0.02509 0.01643 0.02287 -0.00079 0.00285 -0.00035 AgM2 0.02509 0.01643 0.02287 -0.00079 0.00285 -0.00035 SbM2 0.02509 0.01643 0.02287 -0.00079 0.00285 -0.00035 Ag 0.03778 0.04964 0.04037 0.02410 -0.00956 -0.00215 Sb1 0.01950 0.01597 0.01556 0.00112 -0.00052 0.00065 Sb2 0.01384 0.01628 0.01798 -0.00015 -0.00117 0.00216 Sb3 0.01579 0.01474 0.01617 0.00021 0.00045 0.00025 Sb4 0.01639 0.01757 0.01537 -0.00037 -0.00019 -0.00096 Sb5 0.01551 0.01544 0.01495 -0.00198 0.00028 0.00071 S1 0.02290 0.01939 0.01214 0.00497 -0.00045 -0.00025 S2 0.02152 0.02470 0.01303 -0.00636 -0.00200 0.00076 S3 0.01762 0.01872 0.01970 0.00387 -0.00070 -0.00173 S4 0.01645 0.01894 0.01974 -0.00389 0.00112 0.00320 S5 0.02051 0.02276 0.01395 -0.00604 -0.00133 0.00257 S6 0.01781 0.01853 0.01603 -0.00118 0.00130 -0.00050 S7 0.01860 0.01581 0.01352 0.00012 0.00072 0.00204 S8 0.01561 0.02404 0.01239 -0.00203 -0.00078 0.00060 S9 0.01518 0.01680 0.02092 -0.00308 0.00087 0.00135 S10 0.01466 0.02164 0.01742 -0.00133 -0.00007 0.00263 S11 0.02549 0.01757 0.01666 -0.00152 0.00192 -0.00221 S12 0.01734 0.01725 0.01515 0.00027 0.00011 0.00138