data_global _chemical_name_mineral 'Pearceite' loop_ _publ_author_name 'Bindi L' 'Evain M' 'Menchetti S' _journal_name_full 'The Canadian Mineralogist' _journal_volume 45 _journal_year 2007 _journal_page_first 321 _journal_page_last 333 _publ_section_title ; Complex twinning, polytypism and disorder phenomena in the crystal structures of antimonpearceite and arsenpolybasite Sample: 222 Note: mineral name has been changed from arsenpolybasite Note: This is type pearceite-M2a2b2c ; _database_code_amcsd 0006142 _chemical_compound_source 'Freiberg, Germany' _chemical_formula_sum 'Ag29.786 Cu2.214 As3.762 Sb.238 S22' _cell_length_a 26.036 _cell_length_b 15.0319 _cell_length_c 24.042 _cell_angle_alpha 90 _cell_angle_beta 90.000 _cell_angle_gamma 90 _cell_volume 9409.330 _exptl_crystal_density_diffrn 6.170 _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 Ag1 0.03356 0.14478 0.05354 1.00000 0.04070 Ag2 0.04409 0.36395 0.06653 1.00000 0.04790 Ag3 0.04448 0.62225 0.06430 0.91600 0.06040 Cu3* 0.04458 0.62225 0.06430 0.08400 0.06040 Ag4 0.03192 0.85960 0.05493 1.00000 0.04170 Ag5 0.16076 0.00213 0.06933 0.92900 0.05050 Cu5* 0.16076 0.00213 0.06933 0.07100 0.05050 Ag6 0.18442 0.49998 0.05078 1.00000 0.03520 Ag7 0.28741 0.10329 0.05266 1.00000 0.03830 Ag8 0.28577 0.37499 0.06294 1.00000 0.04570 Ag9 0.29077 0.63252 0.06172 0.94100 0.05960 Cu9* 0.29077 0.63252 0.06172 0.05900 0.05960 Ag10 0.28734 0.89735 0.05653 1.00000 0.04020 Ag11 0.42857 0.25102 0.05590 1.00000 0.04730 Ag12 0.41678 0.74641 0.06010 1.00000 0.06570 Ag13 0.16044 0.00663 0.19801 1.00000 0.04590 Ag14 0.34579 0.02325 0.18229 1.00000 0.08590 Ag15 0.46263 0.00806 0.19693 1.00000 0.04950 Ag16 0.09995 0.19356 0.19867 1.00000 0.04720 Ag17 0.22640 0.17523 0.19588 1.00000 0.04520 Ag18 0.41216 0.20300 0.18558 1.00000 0.05400 Ag19 0.05164 0.37683 0.19673 1.00000 0.04090 Ag20 0.17326 0.37439 0.19283 1.00000 0.04370 Ag21 0.28943 0.36069 0.19433 1.00000 0.04600 Ag22 0.39990 0.41778 0.19354 1.00000 0.05740 Ag23 0.06335 0.63587 0.18914 1.00000 0.05310 Ag24 0.18965 0.63290 0.18610 1.00000 0.06990 Ag25 0.31689 0.60230 0.19004 1.00000 0.07000 Ag26 0.46399 0.59426 0.18455 1.00000 0.07580 Ag27 0.01927 0.90582 0.18457 1.00000 0.05740 Ag28 0.13125 0.81215 0.19650 1.00000 0.06140 Ag29 0.25823 0.84371 0.19034 1.00000 0.08120 Ag30 0.41478 0.80609 0.18661 1.00000 0.05590 Cu1 0.00000 0.23864 0.25000 1.00000 0.02350 Cu2 0.00000 0.75232 0.25000 1.00000 0.03270 Cu3 0.24348 0.50459 0.24966 1.00000 0.02420 As1 0.16645 0.24708 0.04970 0.93000 0.01950 Sb1* 0.16645 0.24708 0.04970 0.07000 0.01950 As2 0.16620 0.75572 0.05088 0.93100 0.02000 Sb2* 0.16620 0.75572 0.05088 0.06900 0.02000 As3 0.41985 -0.00414 0.05004 0.90100 0.01980 Sb3* 0.41985 -0.00414 0.05004 0.09900 0.01980 As4 0.41230 0.49968 0.05034 1.00000 0.01750 S1 0.12189 0.14351 0.09778 1.00000 0.02310 S2 0.13555 0.37008 0.09207 1.00000 0.02180 S3 0.24279 0.23817 0.09531 1.00000 0.02200 S4 0.13607 0.63134 0.09189 1.00000 0.02340 S5 0.12198 0.85957 0.10001 1.00000 0.02220 S6 0.24214 0.75954 0.09680 1.00000 0.02410 S7 0.49319 -0.00210 0.10211 1.00000 0.02300 S8 0.37853 0.11319 0.08794 1.00000 0.02320 S9 0.37997 0.38082 0.09695 1.00000 0.02460 S10 0.49259 0.50245 0.08778 1.00000 0.02330 S11 0.38047 0.61128 0.10335 1.00000 0.02470 S12 0.37612 0.88934 0.09639 1.00000 0.02460 S13 0.23004 -0.00380 -0.00040 1.00000 0.03610 S14 0.49211 0.77300 0.00161 1.00000 0.05290 S15 0.07378 0.01467 0.23222 1.00000 0.02700 S16 0.24874 0.00795 0.16090 1.00000 0.02280 S17 0.00330 0.24723 0.16047 1.00000 0.02230 S18 0.32881 0.22833 0.22997 1.00000 0.02620 S19 0.09980 0.50260 0.23060 1.00000 0.02530 S20 0.24643 0.49580 0.15991 1.00000 0.02140 S21 0.00032 0.74878 0.16020 1.00000 0.02280 S22 0.33248 0.75324 0.23170 1.00000 0.02910 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 Ag1 0.03560 0.03970 0.04670 -0.00620 -0.00720 0.00660 Ag2 0.02880 0.05950 0.05540 0.00710 -0.00530 0.00080 Ag3 0.04020 0.07660 0.06440 -0.02520 -0.01380 0.02670 Cu3' 0.04020 0.07660 0.06440 -0.02520 -0.01380 0.02670 Ag4 0.03510 0.04110 0.04870 0.00500 -0.00560 -0.00770 Ag5 0.07140 0.02520 0.05520 0.00140 0.02950 -0.00180 Cu5' 0.07140 0.02520 0.05520 0.00140 0.02950 -0.00180 Ag6 0.03660 0.03250 0.03640 -0.00040 0.01160 -0.00010 Ag7 0.03380 0.03640 0.04460 0.00600 -0.00230 -0.00970 Ag8 0.03960 0.04530 0.05220 -0.01550 0.00160 0.00780 Ag9 0.05350 0.06590 0.05930 0.03280 -0.01060 -0.02320 Cu9' 0.05350 0.06590 0.05930 0.03280 -0.01060 -0.02320 Ag10 0.03270 0.03890 0.04900 -0.00550 -0.00450 0.00850 Ag11 0.05730 0.03200 0.05250 -0.00280 0.00340 -0.00020 Ag12 0.10950 0.02890 0.05900 -0.00520 0.01170 0.00310 Ag13 0.02160 0.06570 0.05060 -0.00630 0.00630 -0.01360 Ag14 0.02540 0.19770 0.03470 -0.01190 -0.00190 -0.00220 Ag15 0.04300 0.07260 0.03300 0.01180 0.00990 0.00710 Ag16 0.04740 0.05220 0.04210 0.00720 -0.00880 -0.01230 Ag17 0.05570 0.04160 0.03840 -0.00020 0.01160 -0.00330 Ag18 0.02560 0.09000 0.04630 -0.00140 0.00180 0.01670 Ag19 0.05110 0.02630 0.04520 -0.01320 -0.01420 0.00240 Ag20 0.04360 0.04940 0.03810 -0.00330 0.00080 0.00910 Ag21 0.04830 0.03730 0.05240 0.02100 0.00980 0.01290 Ag22 0.06260 0.07520 0.03460 -0.02450 0.00120 -0.01110 Ag23 0.06720 0.03870 0.05330 0.02510 -0.02010 -0.00740 Ag24 0.11070 0.06650 0.03230 0.05760 -0.00540 -0.00780 Ag25 0.09880 0.07280 0.03840 -0.05570 0.01520 -0.00760 Ag26 0.14390 0.04880 0.03480 -0.05360 -0.00870 0.00620 Ag27 0.07860 0.04280 0.05090 -0.02980 0.01470 -0.01240 Ag28 0.10670 0.04210 0.03540 0.00980 -0.01320 0.00530 Ag29 0.15310 0.05000 0.04020 0.05030 -0.01720 -0.01090 Ag30 0.02990 0.09950 0.03840 0.00950 -0.00240 0.00610 Cu1 0.02820 0.02890 0.01350 0.00000 -0.00140 0.00000 Cu2 0.04130 0.04060 0.01620 0.00000 0.00000 0.00000 Cu3 0.02850 0.02960 0.01450 -0.00060 0.00030 0.00190 As1 0.02010 0.01950 0.01900 -0.00010 -0.00040 -0.00050 Sb1' 0.02010 0.01950 0.01900 -0.00010 -0.00040 -0.00050 As2 0.02120 0.02030 0.01860 0.00070 -0.00080 0.00060 Sb2' 0.02120 0.02030 0.01860 0.00070 -0.00080 0.00060 As3 0.01970 0.02050 0.01930 -0.00020 0.00090 -0.00180 Sb3' 0.01970 0.02050 0.01930 -0.00020 0.00090 -0.00180 As4 0.01830 0.01730 0.01700 0.00040 -0.00170 -0.00040 S1 0.02210 0.01750 0.02960 -0.00240 0.00260 -0.00040 S2 0.01930 0.01710 0.02890 0.00000 0.00220 0.00160 S3 0.01700 0.01960 0.02930 -0.00070 0.00070 -0.00060 S4 0.02180 0.01750 0.03090 -0.00170 0.00040 0.00120 S5 0.01820 0.02280 0.02580 0.00330 0.00030 0.00160 S6 0.01800 0.01980 0.03430 0.00020 -0.00170 -0.00210 S7 0.01650 0.02660 0.02600 0.00120 -0.00040 -0.00030 S8 0.02300 0.01590 0.03080 0.00200 -0.00400 -0.00200 S9 0.02620 0.01860 0.02910 -0.00420 -0.00090 0.00000 S10 0.01850 0.02380 0.02780 -0.00020 0.00030 0.00300 S11 0.02150 0.02140 0.03130 0.00190 0.00380 -0.00510 S12 0.02250 0.01850 0.03280 -0.00360 -0.00290 0.00470 S13 0.02730 0.05750 0.02350 -0.00350 -0.00230 0.00100 S14 0.08500 0.04430 0.02930 0.01320 -0.00440 -0.00570 S15 0.02000 0.03500 0.02600 -0.00390 0.00070 -0.00300 S16 0.01980 0.03340 0.01510 0.00170 0.00010 -0.00090 S17 0.02640 0.02590 0.01470 -0.00390 0.00210 0.00040 S18 0.02650 0.02680 0.02540 0.00570 0.00160 0.00380 S19 0.03030 0.02170 0.02390 -0.00170 -0.00100 0.00020 S20 0.02840 0.02100 0.01500 0.00200 -0.00060 0.00010 S21 0.02450 0.02410 0.01960 0.00140 -0.00240 0.00140 S22 0.03120 0.03170 0.02440 -0.00400 0.00040 0.00020