data_global _chemical_name_mineral 'Dervillite' loop_ _publ_author_name 'Bindi L' 'Nestola F' 'De Battisti L' 'Guastoni A' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 3105 _journal_page_last 3112 _publ_section_title ; Dervillite, Ag2AsS2, from Lengenbach quarry, Binn valley, Switzerland: occurrence and crystal structure ; _database_code_amcsd 0019987 _chemical_compound_source 'Lengenbach quarry, Binn valley, Switzerland' _chemical_formula_sum 'Ag2 As S2' _cell_length_a 9.6155 _cell_length_b 12.9331 _cell_length_c 6.8616 _cell_angle_alpha 90 _cell_angle_beta 99.352 _cell_angle_gamma 90 _cell_volume 841.955 _exptl_crystal_density_diffrn 5.598 _symmetry_space_group_name_H-M 'P 1 c 1' loop_ _space_group_symop_operation_xyz '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_U_iso_or_equiv Ag1 0.23710 0.59590 0.42290 0.03500 Ag2 0.04160 0.91390 0.72620 0.04490 Ag3 0.69310 0.90710 0.12240 0.03180 Ag4 0.35750 0.89290 0.62930 0.03660 Ag5 0.56500 0.60590 0.89560 0.03670 Ag6 0.96150 0.78980 0.30720 0.05310 Ag7 0.83870 0.49270 0.65180 0.08500 Ag8 0.96100 0.68680 0.84800 0.07280 As1 0.31250 0.68540 0.93860 0.01600 As2 0.61780 0.68170 0.35130 0.01790 As3 0.30960 0.83090 0.17990 0.01710 As4 0.62600 0.82160 0.60350 0.01600 S1 0.15300 0.58130 0.05000 0.01850 S2 0.79180 0.91870 0.49990 0.01850 S3 0.19240 0.74550 0.65730 0.01930 S4 0.73330 0.75060 0.89160 0.02210 S5 0.84740 0.62910 0.41490 0.01990 S6 0.51420 0.56720 0.52240 0.02210 S7 0.09160 0.89570 0.10430 0.02180 S8 0.42720 0.93600 0.01200 0.01980 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 0.05100 0.02820 0.02540 -0.00370 0.00490 -0.00290 Ag2 0.05200 0.04400 0.03530 0.01490 -0.00250 0.00750 Ag3 0.03720 0.02830 0.02840 -0.00300 0.00120 0.00140 Ag4 0.04600 0.02340 0.04250 -0.00620 0.01450 0.00620 Ag5 0.04300 0.02510 0.04500 -0.00360 0.01520 0.00670 Ag6 0.03600 0.06800 0.05700 -0.01300 0.01080 0.02700 Ag7 0.10900 0.07200 0.06800 -0.01900 -0.00400 0.04800 Ag8 0.03100 0.07300 0.11300 0.02100 0.00800 0.01600 As1 0.01610 0.01310 0.01890 0.00210 0.00370 0.00000 As2 0.01940 0.02110 0.01310 -0.00370 0.00200 -0.00030 As3 0.02040 0.01830 0.01260 -0.00290 0.00270 -0.00080 As4 0.01580 0.01590 0.01690 0.00120 0.00390 0.00200 S1 0.02400 0.01400 0.01800 -0.00200 0.00300 0.00300 S2 0.02100 0.01700 0.01800 -0.00300 0.00600 0.00100 S3 0.02400 0.01900 0.01500 0.00300 0.00300 -0.00200 S4 0.03300 0.02200 0.01100 0.00400 0.00100 -0.00100 S5 0.02000 0.02000 0.02100 -0.00100 0.00600 0.00100 S6 0.02100 0.01800 0.02900 -0.00600 0.01000 -0.00300 S7 0.01700 0.03000 0.01900 -0.00200 0.00700 0.00400 S8 0.02200 0.01700 0.02200 -0.00600 0.00700 0.00100