data_global _chemical_name_mineral 'Marrucciite' loop_ _publ_author_name 'Orlandi P' 'Moelo Y' 'Campostrini I' 'Meerschaut A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 19 _journal_year 2007 _journal_page_first 267 _journal_page_last 279 _publ_section_title ; Lead-antimony sulfosalts from Tuscany (Italy). IX. Marrucciite, Hg3Pb16Sb18S46,a new sulfosalt from Buca della Vena mine, Apuan Alps: definition and crystal structure ; _database_code_amcsd 0007219 _chemical_compound_source 'Buca della Vena mine, Apuan Alps, Tuscany, Italy' _chemical_formula_sum 'Hg3 Pb16.08 Sb17.92 S46' _cell_length_a 48.32 _cell_length_b 4.1170 _cell_length_c 24.056 _cell_angle_alpha 90 _cell_angle_beta 118.84 _cell_angle_gamma 90 _cell_volume 4191.993 _exptl_crystal_density_diffrn 6.013 _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 Hg1 0.00000 0.00000 0.50000 1.00000 0.02420 Hg2 -0.12993 0.50000 0.56857 1.00000 0.03160 Pb1 -0.02600 0.50000 0.61767 1.00000 0.02330 Pb2 0.06881 0.50000 0.65812 1.00000 0.02330 Pb3 -0.18617 0.00000 0.37752 1.00000 0.02500 Pb4 0.21497 0.50000 0.26235 1.00000 0.02470 Pb5 0.11942 0.50000 0.85218 1.00000 0.02010 Pb6 0.16059 0.50000 0.05133 1.00000 0.02390 Pb7 0.11078 0.50000 0.16352 1.00000 0.02250 Pb8 -0.05450 0.50000 0.74680 0.63000 0.02100 Sb8 -0.04580 0.50000 0.75680 0.37000 0.02100 Pb9 0.03420 0.00000 0.81940 0.41000 0.02800 Sb9 0.03770 0.00000 0.80900 0.59000 0.02800 Sb1 -0.09600 0.08180 0.46646 0.50000 0.02000 Sb2 -0.23449 0.50000 0.44876 1.00000 0.02950 Sb3 0.17107 0.00000 0.35666 1.00000 0.02410 Sb4 0.33929 0.50000 0.24036 1.00000 0.02250 Sb5 0.20481 0.00000 -0.04250 1.00000 0.03220 Sb6 0.24964 0.00000 0.15138 1.00000 0.02300 Sb7 0.07073 0.04400 -0.01380 0.50000 0.02900 Sb10 -0.02174 0.03800 0.91410 0.50000 0.03600 S1 0.01900 0.00000 0.61070 1.00000 0.01500 S2 -0.05550 0.50000 0.48050 1.00000 0.01400 S3 -0.07710 0.00000 0.58010 1.00000 0.02200 S4 -0.19310 0.00000 0.48800 1.00000 0.02400 S5 0.21670 0.55500 0.39260 0.50000 0.02200 S6 -0.12780 0.55100 0.67010 0.50000 0.02500 S7 -0.13860 0.50000 0.46290 1.00000 0.01900 S8 -0.23490 0.50000 0.34550 1.00000 0.02000 S9 0.16390 0.00000 0.24870 1.00000 0.01600 S10 0.35600 0.04900 0.32010 0.50000 0.02700 S11 0.18320 0.55400 0.86350 0.50000 0.03300 S12 0.22550 0.56400 0.04830 0.50000 0.02200 S13 0.27070 0.50000 0.23050 1.00000 0.02300 S14 0.39130 0.50000 0.24260 1.00000 0.01800 S15 0.15320 0.00000 -0.04480 1.00000 0.02000 S16 0.19960 0.00000 0.15540 1.00000 0.01600 S17 0.04790 0.50000 0.75700 1.00000 0.02300 S18 0.00100 0.50000 0.86330 1.00000 0.02300 S19 -0.04720 0.54200 -0.04560 0.50000 0.02000 S20 0.09100 0.53400 -0.05560 0.50000 0.02100 S21 -0.02030 0.00000 0.72250 1.00000 0.02300 S22 -0.07110 0.00000 0.81300 1.00000 0.01600 S23 0.11980 0.00000 0.08610 1.00000 0.01700 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 Hg1 0.02720 0.02790 0.01700 0.00000 0.01030 0.00000 Hg2 0.04520 0.03530 0.02590 0.00000 0.02650 0.00000 Pb1 0.03010 0.02220 0.02490 0.00000 0.01900 0.00000 Pb2 0.03240 0.01420 0.02430 0.00000 0.01440 0.00000 Pb3 0.02230 0.02320 0.02870 0.00000 0.01180 0.00000 Pb4 0.02610 0.01920 0.02280 0.00000 0.00710 0.00000 Pb5 0.02400 0.01680 0.02160 0.00000 0.01260 0.00000 Pb6 0.03720 0.01590 0.02470 0.00000 0.01980 0.00000 Pb7 0.02300 0.02080 0.02940 0.00000 0.01710 0.00000 Pb8 0.02000 0.02260 0.02800 0.00000 0.01600 0.00000 Sb8 0.02000 0.02260 0.02800 0.00000 0.01600 0.00000 Pb9 0.01900 0.03350 0.04700 0.00000 0.02800 0.00000 Sb9 0.01900 0.03350 0.04700 0.00000 0.02800 0.00000 Sb1 0.01760 0.02400 0.01750 -0.00090 0.00860 -0.00150 Sb2 0.04800 0.01840 0.04200 0.00000 0.03800 0.00000 Sb3 0.04000 0.01670 0.01680 0.00000 0.01500 0.00000 Sb4 0.02500 0.02650 0.02180 0.00000 0.01600 0.00000 Sb5 0.01870 0.01860 0.05900 0.00000 0.01840 0.00000 Sb6 0.01990 0.03060 0.02230 0.00000 0.01330 0.00000 Sb7 0.01410 0.03900 0.02690 0.01200 0.00480 -0.00100 Sb10 0.03200 0.03300 0.02600 0.00300 0.00090 0.01100