data_global _chemical_name_mineral 'Moeloite' loop_ _publ_author_name 'Orlandi P' 'Meerschaut A' 'Palvadeau P' 'Merlino S' _journal_name_full 'European Journal of Mineralogy' _journal_volume 14 _journal_year 2002 _journal_page_first 599 _journal_page_last 606 _publ_section_title ; Lead-antimony sulfosalts from Tuscany (Italy). V. Definition and crystal structure of moeloite, Pb6Sb6S14(S3), a new mineral from the Ceragiola marble quarry ; _database_code_amcsd 0006941 _chemical_compound_source 'Tuscany, Italy' _chemical_formula_sum 'Pb6 Sb6 S17' _cell_length_a 15.328 _cell_length_b 4.0400 _cell_length_c 23.054 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1427.622 _exptl_crystal_density_diffrn 5.860 _symmetry_space_group_name_H-M 'P 21 2 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2-z' '1/2-x,-y,1/2+z' '-x,y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb1 0.08070 0.00000 0.12610 0.02900 Pb2 0.18200 -0.00120 0.29500 0.02200 Pb3 0.30280 -0.00100 0.46170 0.02100 Sb1 0.17510 0.51000 0.60370 0.06300 Sb2 0.06450 0.51100 0.43040 0.07000 Sb3 -0.06050 0.54000 0.25630 0.05400 S1 0.09070 0.49600 0.22200 0.01500 S2 0.23060 -0.02800 0.66820 0.03100 S3 0.20650 0.52300 0.38490 0.01500 S4 0.31220 0.50600 0.55280 0.01500 S5 -0.04560 0.48900 0.06990 0.01700 S6 0.12160 0.00600 0.50660 0.03000 S7 0.01730 0.00900 0.35100 0.02500 S8 -0.10150 -0.03400 0.18850 0.03200 S9 0.00000 0.23800 0.00000 0.02300 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 0.05100 0.00800 0.02800 -0.00100 -0.00300 0.00500 Pb2 0.03200 0.01100 0.02400 0.00200 0.00100 0.00000 Pb3 0.02400 0.01000 0.02900 0.00400 -0.00400 0.00100 Sb1 0.01800 0.13100 0.03900 -0.01700 0.00800 -0.02000 Sb2 0.01400 0.16800 0.02800 0.01900 0.00100 -0.04200 Sb3 0.02500 0.07600 0.06100 0.05300 0.01500 0.00900