data_global _chemical_name_mineral 'Linarite' loop_ _publ_author_name 'Effenberger H' _journal_name_full 'Mineralogy and Petrology' _journal_volume 36 _journal_year 1987 _journal_page_first 3 _journal_page_last 12 _publ_section_title ; Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4) ; _database_code_amcsd 0014611 _chemical_compound_source 'Leadhills, Scotland' _chemical_formula_sum 'Pb Cu S O6 H2' _cell_length_a 9.701 _cell_length_b 5.650 _cell_length_c 4.690 _cell_angle_alpha 90 _cell_angle_beta 102.65 _cell_angle_gamma 90 _cell_volume 250.822 _exptl_crystal_density_diffrn 5.307 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb 0.34201 0.25000 0.32838 Cu 0.00000 0.00000 0.00000 S 0.33190 0.75000 0.88450 O1 0.47540 0.75000 0.06560 O2 0.33470 0.75000 0.56930 O3 0.25310 0.53550 0.94260 O-H4 0.03420 0.75000 0.28640 O-H5 0.09520 0.25000 0.26670 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 Pb 0.01220 0.02220 0.01950 0.00000 -0.00190 0.00000 Cu 0.01360 0.00830 0.01060 -0.00110 0.00110 0.00010 S 0.00940 0.01330 0.01100 0.00000 0.00100 0.00000 O1 0.01100 0.02200 0.01900 0.00000 -0.00200 0.00000 O2 0.02300 0.04500 0.01100 0.00000 0.00200 0.00000 O3 0.01400 0.01500 0.02800 -0.00300 0.00300 0.00200 O-H4 0.01400 0.01000 0.01400 0.00000 0.00200 0.00000 O-H5 0.01000 0.01100 0.01200 0.00000 0.00100 0.00000