data_global _chemical_name_mineral 'Sahlinite' loop_ _publ_author_name 'Bonaccorsi E' 'Pasero M' _journal_name_full 'Mineralogical Magazine' _journal_volume 67 _journal_year 2003 _journal_page_first 15 _journal_page_last 21 _publ_section_title ; Crystal structure refinement of sahlinite, Pb14(AsO4)2O9Cl4 ; _database_code_amcsd 0014564 _chemical_compound_source 'Langban, Sweden' _chemical_formula_sum 'Pb14 As2 Cl4 O17' _cell_length_a 12.704 _cell_length_b 22.576 _cell_length_c 11.287 _cell_angle_alpha 90 _cell_angle_beta 118.37 _cell_angle_gamma 90 _cell_volume 2848.381 _exptl_crystal_density_diffrn 8.079 _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 Pb1 0.11429 0.08398 0.18224 Pb2 0.36895 0.08654 0.07549 Pb3 0.12639 0.42056 0.45084 Pb4 0.37823 0.41754 0.30760 Pb5 0.35314 0.19520 0.29905 Pb6 0.12256 0.19867 0.42339 Pb7 0.39927 0.30312 0.06056 As 0.13640 0.32136 0.17760 Cl1 0.37390 0.50000 0.06230 Cl2 0.37980 0.01440 0.30880 O1 0.23600 0.14350 0.11100 O2 0.25500 0.13730 0.38100 O3 0.47300 0.35750 0.48600 O4 0.01300 0.35310 0.04700 O5 0.25200 0.33960 0.14500 O6 0.00000 0.14560 0.25000 O7 0.50000 0.14290 0.25000 O8 0.50000 0.36740 0.25000 O9 0.17400 0.35150 0.32900 O10 0.12200 0.24900 0.18100 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 Pb1 0.02110 0.00720 0.01910 -0.00050 0.01360 -0.00070 Pb2 0.02130 0.01080 0.02130 -0.00010 0.01390 -0.00180 Pb3 0.02280 0.01140 0.01930 0.00210 0.01330 0.00220 Pb4 0.02390 0.01210 0.01840 0.00390 0.01420 0.00140 Pb5 0.02530 0.00840 0.02170 -0.00330 0.01570 -0.00230 Pb6 0.02350 0.00980 0.02170 -0.00420 0.01570 -0.00410 Pb7 0.02140 0.00820 0.01940 0.00060 0.01300 0.00210 As 0.02410 0.01510 0.02060 0.00110 0.01420 -0.00120 Cl1 0.02800 0.02500 0.02300 -0.00700 0.01700 -0.00300 Cl2 0.02200 0.02600 0.02500 0.00200 0.01500 0.00000 O1 0.02300 0.00800 0.01500 0.00100 0.01000 0.00200 O2 0.02300 0.01300 0.01400 -0.00600 0.01400 -0.00400 O3 0.03300 0.02000 0.01400 0.00300 0.01600 0.00000 O4 0.02100 0.02300 0.03300 0.00200 0.00900 0.00200 O5 0.02800 0.02900 0.03200 -0.00500 0.02600 -0.00400 O6 0.02300 0.00500 0.01500 0.00000 0.01100 0.00000 O7 0.02000 0.01400 0.02000 0.00000 0.01100 0.00000 O8 0.02800 0.01400 0.02000 0.00000 0.02000 0.00000 O9 0.04600 0.03000 0.02900 0.00200 0.02300 -0.01200 O10 0.05400 0.01000 0.03100 -0.00400 0.02900 -0.00200