data_global _chemical_name_mineral 'Emilite' loop_ _publ_author_name 'Balic-Zunic T' 'Topa D' 'Makovicky E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 239 _journal_page_last 245 _publ_section_title ; The crystal structure of emilite, Cu10.7Pb10.7Bi21.3S48, the second 45 angstrom derivative of the bismuthinite-aikinite solid-solution series ; _database_code_amcsd 0005769 _chemical_formula_sum 'Bi11 Pb5 Cu5.99 S24' _cell_length_a 4.0285 _cell_length_b 44.986 _cell_length_c 11.599 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2102.042 _exptl_crystal_density_diffrn 7.086 _symmetry_space_group_name_H-M 'P m c 21' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,z' '-x,-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 Bi1 0.00000 0.14354 0.40030 1.00000 0.03010 Bi2 0.50000 -0.01589 0.36080 1.00000 0.02950 Bi3 0.50000 0.07152 0.53630 1.00000 0.03650 Bi4 0.00000 0.10499 0.89820 1.00000 0.03100 Bi5 0.50000 0.26488 0.86450 1.00000 0.02990 Bi6 0.50000 0.17709 0.03680 1.00000 0.03660 Bi7 0.50000 0.51934 0.86520 1.00000 0.02930 Bi8 0.00000 0.35944 0.89980 1.00000 0.03240 Bi9 0.00000 0.44729 0.72720 1.00000 0.03780 Bi10 0.50000 0.23178 0.36140 1.00000 0.02880 Bi11 0.00000 0.39190 0.40330 1.00000 0.02940 Pb1 0.00000 0.06241 0.20500 1.00000 0.03350 Pb2 0.00000 0.18685 0.70810 1.00000 0.03890 Pb3 0.50000 0.43728 0.05400 1.00000 0.03730 Pb4 0.50000 0.31476 0.54950 1.00000 0.03750 Pb5 0.00000 0.30960 0.21450 1.00000 0.03940 Cu1 0.00000 0.01000 0.60800 1.00000 0.02500 Cu2 0.00000 0.25940 0.61600 1.00000 0.03600 Cu3 0.50000 0.36520 0.14720 1.00000 0.04800 Cu4 0.50000 0.38580 0.65300 1.00000 0.04600 Cu5 0.00000 0.23870 0.11000 1.00000 0.03500 Cu6 0.00000 0.48820 0.11200 0.36000 0.04000 Cu7 0.50000 0.13350 0.65600 0.34000 0.04000 Cu8 0.50000 0.11140 0.15000 0.29000 0.04000 S1 0.50000 0.17270 0.50000 1.00000 0.02700 S2 0.50000 0.09750 0.33400 1.00000 0.02900 S3 0.50000 0.01390 0.16300 1.00000 0.02000 S4 0.00000 -0.04690 0.25600 1.00000 0.02200 S5 0.00000 0.03050 0.42500 1.00000 0.02800 S6 0.00000 0.11080 0.59400 1.00000 0.02300 S7 0.50000 0.07470 0.00100 1.00000 0.03000 S8 0.50000 0.15120 0.83400 1.00000 0.02600 S9 0.50000 0.23480 0.66800 1.00000 0.02400 S10 0.00000 0.29620 0.76600 1.00000 0.02000 S11 0.00000 0.21810 0.92700 1.00000 0.02200 S12 0.00000 0.13670 0.09300 1.00000 0.01900 S13 0.00000 0.54910 0.76300 1.00000 0.02800 S14 0.00000 0.47190 0.93200 1.00000 0.03300 S15 0.00000 0.38810 0.09400 1.00000 0.03400 S16 0.50000 0.32640 0.99900 1.00000 0.03800 S17 0.50000 0.40590 0.83600 1.00000 0.04000 S18 0.50000 0.48690 0.66700 1.00000 0.03100 S19 0.00000 0.20030 0.25500 1.00000 0.02300 S20 0.00000 0.27720 0.42800 1.00000 0.02700 S21 0.00000 0.36130 0.59700 1.00000 0.02700 S22 0.50000 0.42280 0.50400 1.00000 0.03800 S23 0.50000 0.34640 0.33900 1.00000 0.03100 S24 0.50000 0.26170 0.16700 1.00000 0.02500 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 Bi1 0.03000 0.02700 0.03400 0.00000 0.00000 -0.00500 Bi2 0.03100 0.03000 0.02700 0.00000 0.00000 -0.00100 Bi3 0.03500 0.04100 0.03300 0.00000 0.00000 -0.00100 Bi4 0.02900 0.02800 0.03600 0.00000 0.00000 0.00300 Bi5 0.03300 0.02600 0.03100 0.00000 0.00000 0.00200 Bi6 0.03600 0.03300 0.04100 0.00000 0.00000 0.00100 Bi7 0.03100 0.02300 0.03300 0.00000 0.00000 0.00300 Bi8 0.03100 0.03500 0.03200 0.00000 0.00000 0.00200 Bi9 0.04000 0.02600 0.04800 0.00000 0.00000 -0.00200 Bi10 0.03000 0.02600 0.03000 0.00000 0.00000 0.00000 Bi11 0.03000 0.02400 0.03500 0.00000 0.00000 0.00000 Pb1 0.03800 0.03600 0.02600 0.00000 0.00000 -0.00300 Pb2 0.04100 0.03000 0.04500 0.00000 0.00000 0.00800 Pb3 0.03900 0.02800 0.04500 0.00000 0.00000 0.00400 Pb4 0.03800 0.02500 0.04900 0.00000 0.00000 0.00000 Pb5 0.04000 0.02200 0.05700 0.00000 0.00000 -0.00300 Cu1 0.02100 0.05000 0.00600 0.00000 0.00000 -0.00300 Cu2 0.03800 0.03100 0.04000 0.00000 0.00000 -0.00200 Cu3 0.05800 0.02200 0.06400 0.00000 0.00000 0.01100 Cu4 0.05900 0.02300 0.05600 0.00000 0.00000 -0.01300 Cu5 0.03800 0.02800 0.04000 0.00000 0.00000 0.00200