data_global _chemical_name_mineral 'Raberite' loop_ _publ_author_name 'Bindi L' 'Nestola F' 'Guastoni A' 'Peruzzo L' 'Ecker M' 'Carampin R' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 1153 _journal_page_last 1163 _publ_section_title ; Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure ; _database_code_amcsd 0019616 _chemical_compound_source 'Lengenbach quarry, Binn valley, Switzerland' _chemical_formula_sum 'Tl5 Ag4 As5.78 Sb1.22 S15' _cell_length_a 8.920 _cell_length_b 9.429 _cell_length_c 20.062 _cell_angle_alpha 79.66 _cell_angle_beta 88.84 _cell_angle_gamma 62.72 _cell_volume 1471.605 _exptl_crystal_density_diffrn 5.678 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 Tl1 0.86360 0.64536 0.40728 1.00000 0.03790 Tl2 0.49665 0.64270 0.23849 1.00000 0.04620 Tl3 0.10798 0.36735 0.27427 1.00000 0.03680 Tl4 0.12380 0.36430 -0.07842 1.00000 0.04910 Tl5 0.50259 0.35940 0.43829 1.00000 0.03770 Ag1 0.44600 0.01960 0.40810 1.00000 0.05350 Ag2 0.48060 0.04790 0.06970 1.00000 0.07720 Ag3 -0.46350 0.00170 0.23960 1.00000 0.06690 Ag4 0.37830 0.35230 0.16200 1.00000 0.06850 As1 -0.01130 0.84500 0.22383 0.73000 0.02820 Sb1 -0.01130 0.84500 0.22383 0.27000 0.02820 As2 0.20220 0.84360 0.04852 0.37000 0.03640 Sb2 0.20220 0.84360 0.04852 0.63000 0.03640 As3 0.00930 0.16490 0.44915 0.94000 0.02640 Sb3 0.00930 0.16490 0.44915 0.06000 0.02640 As4 0.18470 0.83400 0.38579 0.90000 0.02620 Sb4 0.18470 0.83400 0.38579 0.10000 0.02620 As5 0.10410 0.12710 0.14020 0.98000 0.03000 Sb5 0.10410 0.12710 0.14020 0.02000 0.03000 As6 0.65830 0.31400 0.09900 0.86000 0.03960 Sb6 0.65830 0.31400 0.09900 0.14000 0.03960 As7 0.77970 0.11430 0.31882 1.00000 0.02840 S1 0.18830 0.26850 0.42750 1.00000 0.03300 S2 0.17420 0.67080 0.15330 1.00000 0.03400 S3 0.17560 0.65890 0.32120 1.00000 0.02500 S4 -0.19940 0.74120 0.24160 1.00000 0.03200 S5 0.74120 0.00320 0.42230 1.00000 0.02900 S6 -0.16980 0.31450 0.35030 1.00000 0.02700 S7 0.50700 0.25860 0.28230 1.00000 0.03500 S8 0.46270 0.75490 0.39530 1.00000 0.03400 S9 0.20460 0.29170 0.08870 1.00000 0.03800 S10 -0.17040 0.33350 0.51610 1.00000 0.02400 S11 -0.14870 0.31200 0.17340 1.00000 0.02900 S12 0.24510 0.01910 0.24180 1.00000 0.03400 S13 0.24980 0.61060 0.00140 1.00000 0.03600 S14 0.24510 0.95180 -0.09680 1.00000 0.04100 S15 0.48100 0.78180 0.07640 1.00000 0.03600 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 Tl1 0.02920 0.03240 0.05110 -0.01110 0.01380 -0.01570 Tl2 0.03150 0.04930 0.06140 -0.01680 0.01870 -0.02680 Tl3 0.03260 0.03760 0.04060 -0.01400 0.01220 -0.01590 Tl4 0.03130 0.04790 0.06450 -0.01340 0.01100 -0.01680 Tl5 0.02690 0.03560 0.04910 -0.00810 0.01410 -0.02370 Ag1 0.02890 0.04400 0.09300 -0.01430 0.01950 -0.03500 Ag2 0.03280 0.07700 0.13900 -0.02500 0.03200 -0.06800 Ag3 0.02440 0.04400 0.12900 -0.00720 0.00600 -0.03600 Ag4 0.04500 0.09800 0.07000 -0.02900 0.02480 -0.04500 As1 0.02430 0.03700 0.03000 -0.01650 0.01810 -0.01960 Sb1 0.02430 0.03700 0.03000 -0.01650 0.01810 -0.01960 As2 0.02630 0.04100 0.04600 -0.01290 0.01600 -0.02590 Sb2 0.02630 0.04100 0.04600 -0.01290 0.01600 -0.02590 As3 0.02040 0.03200 0.03000 -0.01060 0.01530 -0.01730 Sb3 0.02040 0.03200 0.03000 -0.01060 0.01530 -0.01730 As4 0.01620 0.03100 0.03100 -0.00610 0.00900 -0.01830 Sb4 0.01620 0.03100 0.03100 -0.00610 0.00900 -0.01830 As5 0.02700 0.02400 0.04200 -0.01060 0.01690 -0.01910 Sb5 0.02700 0.02400 0.04200 -0.01060 0.01690 -0.01910 As6 0.03200 0.05200 0.03800 -0.02300 0.01070 -0.01000 Sb6 0.03200 0.05200 0.03800 -0.02300 0.01070 -0.01000 As7 0.02160 0.02800 0.03600 -0.00710 0.01190 -0.02060 S1 0.01600 0.03600 0.04600 -0.00900 0.00900 -0.01500 S2 0.02600 0.03100 0.04300 -0.01000 0.02100 -0.01800 S3 0.03000 0.01500 0.02700 -0.00600 0.00800 -0.00900 S4 0.03500 0.02900 0.04400 -0.02200 0.01600 -0.01700 S5 0.02300 0.02400 0.03700 -0.00600 0.00600 -0.01200 S6 0.03400 0.02800 0.02900 -0.02000 0.01400 -0.01400 S7 0.03000 0.01700 0.04100 0.00500 0.00400 -0.00700 S8 0.02200 0.03500 0.04700 -0.01100 0.01500 -0.01800 S9 0.03400 0.04400 0.03800 -0.01800 0.01900 -0.01400 S10 0.02700 0.01100 0.02900 -0.00500 0.01500 -0.00800 S11 0.02600 0.02500 0.03800 -0.00800 0.01100 -0.02100 S12 0.03000 0.03100 0.03700 -0.01000 0.01200 -0.01100 S13 0.04200 0.03100 0.04300 -0.02100 0.02300 -0.01800 S14 0.03100 0.04200 0.05300 -0.01800 0.00300 -0.01400 S15 0.01500 0.05000 0.03400 -0.01300 0.00400 0.00300