data_global _chemical_name_mineral 'Weissite' loop_ _publ_author_name 'Bindi L' 'Carbone C' 'Belmonte D' 'Cabella R' 'Bracco R' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 475 _journal_page_last 483 _publ_section_title ; Weissite from Gambatesa mine, Val Graveglia, Liguria, Italy: occurrence, composition and determination of the crystal structure ; _database_code_amcsd 0020112 _chemical_compound_source 'Gambatesa mine, Val Graveglia, Liguria, Italy' _chemical_formula_sum 'Cu42.51 Te17' _cell_length_a 8.3124 _cell_length_b 8.3124 _cell_length_c 21.546 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1289.289 _exptl_crystal_density_diffrn 6.273 _symmetry_space_group_name_H-M 'P 3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' '-y,x-y,z' 'x,x-y,z' '-x+y,-x,z' '-x+y,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 Cu1 0.49900 -0.49900 0.00100 0.17000 0.03700 Cu2 0.66667 0.33333 0.04543 1.00000 0.03400 Cu3 0.83530 -0.83530 0.06099 1.00000 0.04060 Cu4 0.33333 0.66667 0.06224 1.00000 0.03310 Cu5 0.00000 0.00000 0.22505 1.00000 0.03290 Cu6 0.49610 -0.49610 0.22469 1.00000 0.05020 Cu7 0.16200 -0.16200 0.25400 0.50000 0.05110 Cu8 0.82500 -0.82500 0.27024 1.00000 0.04980 Cu9 0.33333 0.66667 0.27094 1.00000 0.03230 Cu10 0.00000 0.00000 0.32724 1.00000 0.03300 Cu11 0.66667 0.33333 0.36849 1.00000 0.03220 Cu12 0.83100 -0.83100 0.49910 0.50000 0.03910 Cu13 0.16002 -0.16002 0.61992 1.00000 0.03990 Cu14 0.00000 0.00000 0.67195 1.00000 0.03310 Cu15 0.49540 -0.49540 0.67486 1.00000 0.05060 Cu16 0.66667 0.33333 0.69743 1.00000 0.03240 Cu17 0.83500 -0.83500 0.73079 1.00000 0.05060 Cu18 0.33333 0.66667 0.73189 1.00000 0.03270 Cu19 0.00000 0.00000 0.77790 1.00000 0.03290 Cu20 0.50490 -0.50490 0.77890 1.00000 0.05080 Cu21 0.16310 -0.16310 0.93206 1.00000 0.05010 Cu22 0.82801 -0.82801 0.93880 1.00000 0.03030 Cu23 0.33333 0.66667 0.93969 1.00000 0.03340 Cu24 0.00000 0.00000 0.99832 1.00000 0.03390 Te1 0.00000 0.00000 0.11395 1.00000 0.03310 Te2 0.50500 -0.50500 0.11514 1.00000 0.04030 Te3 0.83502 -0.83502 0.39005 1.00000 0.04050 Te4 0.33333 0.66667 0.39199 1.00000 0.03290 Te5 0.00000 0.00000 0.44201 1.00000 0.03300 Te6 0.50499 -0.50499 0.44207 1.00000 0.04080 Te7 0.49705 -0.49705 0.55693 1.00000 0.05070 Te8 0.00000 0.00000 0.55787 1.00000 0.03310 Te9 0.33333 0.66667 0.60892 1.00000 0.03360 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 Cu1 0.03100 0.03100 0.04600 0.01300 0.00200 -0.00200 Cu2 0.03390 0.03390 0.03420 0.01700 0.00000 0.00000 Cu3 0.04050 0.04050 0.04150 0.02080 0.00020 -0.00020 Cu4 0.03230 0.03230 0.03470 0.01620 0.00000 0.00000 Cu5 0.03370 0.03370 0.03130 0.01680 0.00000 0.00000 Cu6 0.05090 0.05090 0.04940 0.02570 -0.00060 0.00060 Cu7 0.05100 0.05100 0.04900 0.02400 -0.00060 0.00060 Cu8 0.05160 0.05160 0.04610 0.02560 0.00010 -0.00010 Cu9 0.03420 0.03420 0.02850 0.01710 0.00000 0.00000 Cu10 0.03280 0.03280 0.03350 0.01640 0.00000 0.00000 Cu11 0.03240 0.03240 0.03170 0.01620 0.00000 0.00000 Cu12 0.03800 0.03800 0.04190 0.01950 0.00020 -0.00020 Cu13 0.04020 0.04020 0.03800 0.01920 -0.00030 0.00030 Cu14 0.03180 0.03180 0.03590 0.01590 0.00000 0.00000 Cu15 0.04820 0.04820 0.05460 0.02340 -0.00030 0.00030 Cu16 0.03140 0.03140 0.03440 0.01570 0.00000 0.00000 Cu17 0.05220 0.05220 0.04790 0.02660 -0.00020 0.00020 Cu18 0.03320 0.03320 0.03160 0.01660 0.00000 0.00000 Cu19 0.03280 0.03280 0.03310 0.01640 0.00000 0.00000 Cu20 0.05080 0.05080 0.05000 0.02520 -0.00030 0.00030 Cu21 0.05010 0.05010 0.04980 0.02480 -0.00020 0.00020 Cu22 0.02950 0.02950 0.03150 0.01450 -0.00030 0.00030 Cu23 0.03250 0.03250 0.03530 0.01620 0.00000 0.00000 Cu24 0.03440 0.03440 0.03310 0.01720 0.00000 0.00000 Te1 0.03310 0.03310 0.03310 0.01650 0.00000 0.00000 Te2 0.04040 0.04040 0.04000 0.02030 0.00030 -0.00030 Te3 0.04130 0.04130 0.03930 0.02090 0.00016 -0.00016 Te4 0.03390 0.03390 0.03080 0.01700 0.00000 0.00000 Te5 0.03360 0.03360 0.03190 0.01680 0.00000 0.00000 Te6 0.04110 0.04110 0.03990 0.02040 0.00035 -0.00035 Te7 0.05180 0.05180 0.04790 0.02560 -0.00040 0.00040 Te8 0.03370 0.03370 0.03190 0.01690 0.00000 0.00000 Te9 0.03440 0.03440 0.03190 0.01720 0.00000 0.00000