data_global _chemical_name_mineral 'Linarite' loop_ _publ_author_name 'Schofield P F' 'Wilson C C' 'Knight K S' 'Kirk C A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 47 _journal_year 2009 _journal_page_first 649 _journal_page_last 662 _publ_section_title ; Proton location and hydrogen bonding in the hydrous lead copper sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6 ; _database_code_amcsd 0006293 _chemical_compound_source 'Leadhills, Lanarkshire, Scotland' _chemical_formula_sum 'Pb Cu S O6 H2' _cell_length_a 9.682 _cell_length_b 5.646 _cell_length_c 4.683 _cell_angle_alpha 90 _cell_angle_beta 102.66 _cell_angle_gamma 90 _cell_volume 249.770 _exptl_crystal_density_diffrn 5.330 _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 0.34200 0.25000 0.01230 Cu 0.00000 0.00000 0.00000 S 0.66870 0.25000 0.55600 O1 0.52540 0.25000 0.59000 O2 0.66240 0.25000 0.23400 O3 0.25270 0.53720 0.31070 O4 0.96620 0.25000 0.25260 O5 0.09590 0.25000 0.82650 H5 0.05550 0.25000 0.60500 H4 0.86820 0.25000 0.25600 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 0.01400 0.02200 0.02100 0.00000 0.00700 0.00000 Cu 0.01400 0.00920 0.00900 0.00160 0.00400 -0.00050 S 0.00700 0.00800 0.01100 0.00000 0.00100 0.00000 O1 0.01200 0.02200 0.02400 0.00000 0.00600 0.00000 O2 0.02400 0.03800 0.01300 0.00000 0.00600 0.00000 O3 0.01500 0.01450 0.02300 -0.00040 0.00400 -0.00240 O4 0.01200 0.01070 0.00900 0.00000 0.00300 0.00000 O5 0.01000 0.01180 0.01000 0.00000 0.00300 0.00000 H5 0.02100 0.02400 0.01800 0.00000 0.00400 0.00000 H4 0.02100 0.02900 0.03600 0.00000 0.01400 0.00000