data_global _chemical_name_mineral 'Scainiite' loop_ _publ_author_name 'Moelo Y' 'Meerschaut A' 'Orlandi P' 'Palvadeau P' _journal_name_full 'European Journal of Mineralogy' _journal_volume 12 _journal_year 2000 _journal_page_first 835 _journal_page_last 846 _publ_section_title ; Lead-antimony sulfosalts from Tuscany (Italy): II - Crystal structure of scainiite, Pb14Sb30S54O5, an expanded monoclinic derivative of Ba12Bi24S48 hexagonal sub-type (zinkenite group) ; _database_code_amcsd 0006839 _chemical_compound_source 'Tuscany, Italy' _chemical_formula_sum 'Pb14 Sb30 O5 S54' _cell_length_a 51.996 _cell_length_b 8.148 _cell_length_c 24.311 _cell_angle_alpha 90 _cell_angle_beta 104.09 _cell_angle_gamma 90 _cell_volume 9989.811 _exptl_crystal_density_diffrn 5.562 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-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 _atom_site_occupancy _atom_site_U_iso_or_equiv Pb1 0.08650 0.00000 0.55470 0.33333 0.04700 Sb1 0.08650 0.00000 0.55470 0.66667 0.04700 Pb2 0.08890 0.50000 0.55470 0.66667 0.03700 Sb2 0.08890 0.50000 0.55470 0.33333 0.03700 Pb3 0.14500 0.00000 0.46160 0.66667 0.03100 Sb3 0.14500 0.00000 0.46160 0.33333 0.03100 Pb4 0.14690 0.50000 0.46590 0.33333 0.03000 Sb4 0.14690 0.50000 0.46590 0.66667 0.03000 Pb5 0.10440 0.00000 0.73670 1.00000 0.03000 Sb5 0.10320 0.50000 0.75530 1.00000 0.02800 Sb6 0.52810 0.00000 0.80690 1.00000 0.01800 Pb6 0.53630 0.50000 0.80440 1.00000 0.02700 Pb7 0.35920 0.00000 0.86470 1.00000 0.03300 Pb8 0.35860 0.50000 0.86940 1.00000 0.02800 Pb9 0.32010 0.00000 0.67900 1.00000 0.02900 Pb10 0.31770 0.50000 0.67800 1.00000 0.02800 Pb11 0.27170 0.00000 0.81010 1.00000 0.03000 Pb12 0.27010 0.50000 0.80490 1.00000 0.03400 Pb13 0.41410 0.00000 0.02980 1.00000 0.02300 Pb14 0.41200 0.50000 0.02790 1.00000 0.03000 Pb15 0.18740 0.00000 0.78080 1.00000 0.03100 Pb16 0.18780 0.50000 0.78050 1.00000 0.02700 Sb7 0.14780 0.23350 0.88610 1.00000 0.04100 Sb8 0.23310 0.26260 0.92280 1.00000 0.04300 Sb9 0.31520 0.24010 0.96560 1.00000 0.04100 Sb10 0.24370 0.24280 0.64790 1.00000 0.04500 Sb11 0.28510 0.25830 0.52170 1.00000 0.05300 Sb12 0.32830 0.24280 0.38010 1.00000 0.03000 Sb13 0.39160 0.25560 0.74050 1.00000 0.02900 Sb14 0.43610 0.24270 0.89980 1.00000 0.03900 Sb15 0.48630 0.26170 0.06440 1.00000 0.03800 Sb16 0.45980 0.25170 0.75800 1.00000 0.02500 Sb17 0.43490 0.00000 0.63790 1.00000 0.02000 Sb18 0.43850 0.50000 0.64020 1.00000 0.02300 Sb19 0.47590 0.23750 0.54120 1.00000 0.05000 Sb20 0.45540 0.27990 0.34820 1.00000 0.02900 O1 0.44870 0.00000 0.72240 1.00000 0.04500 O2 0.45570 0.50000 0.73110 1.00000 0.00300 O3 0.45000 0.50000 0.31330 1.00000 0.00500 O4 0.44220 0.25600 0.67190 1.00000 0.04700 S1 0.14830 0.00000 0.65190 1.00000 0.02500 S2 0.14920 0.50000 0.65940 1.00000 0.03600 S3 0.26640 0.00000 0.58380 1.00000 0.02800 S4 0.27010 0.50000 0.58300 1.00000 0.03400 S5 0.18990 0.00000 0.90010 1.00000 0.02700 S6 0.19300 0.50000 0.90320 1.00000 0.03200 S7 0.48090 0.00000 0.61800 1.00000 0.01300 S8 0.48280 0.50000 0.62060 1.00000 0.03600 S9 0.19300 0.00000 0.53600 1.00000 0.01900 S10 0.19280 0.50000 0.53780 1.00000 0.03700 S11 0.22680 0.00000 0.69730 1.00000 0.02000 S12 0.22480 0.50000 0.69900 1.00000 0.02900 S13 0.11240 0.00000 0.86300 1.00000 0.01700 S14 0.11130 0.50000 0.86140 1.00000 0.03900 S15 0.53400 0.00000 0.54380 1.00000 0.02500 S16 0.53570 0.50000 0.54990 1.00000 0.02600 S17 0.27200 0.00000 0.93800 1.00000 0.03800 S18 0.26850 0.50000 0.93870 1.00000 0.02700 S19 0.37880 0.00000 0.67080 1.00000 0.04000 S20 0.37940 0.50000 0.67340 1.00000 0.02500 S21 0.34760 0.00000 0.98630 1.00000 0.02200 S22 0.35120 0.50000 0.98630 1.00000 0.02600 S23 0.41390 0.00000 0.83050 1.00000 0.03600 S24 0.41430 0.50000 0.83090 1.00000 0.03100 S25 0.50800 0.00000 0.13970 1.00000 0.03000 S26 0.50600 0.50000 0.13610 1.00000 0.02200 S27 0.45850 0.00000 0.98270 1.00000 0.03500 S28 0.46090 0.50000 0.98650 1.00000 0.03400 S29 0.32750 0.24950 0.59150 1.00000 0.02400 S30 0.31430 0.25050 0.86570 1.00000 0.02500 S31 0.35060 0.25240 0.76860 1.00000 0.02000 S32 0.44720 0.24790 0.10200 1.00000 0.02000 S33 0.23150 0.24790 0.82270 1.00000 0.02500 S34 0.28480 0.24770 0.72010 1.00000 0.02000 S35 0.39710 0.25220 0.93970 1.00000 0.02400 S36 0.13370 0.25120 0.53280 1.00000 0.02900 S37 0.08870 0.24520 0.63470 1.00000 0.02800 S38 0.07130 0.24310 0.46870 1.00000 0.02300 S39 0.35150 0.25270 0.21420 1.00000 0.02400 S40 0.43080 0.21580 0.24270 1.00000 0.02300 S41 0.49570 0.23190 0.25750 1.00000 0.02100