data_global _amcsd_formula_title 'Cl Cu3 O8 Pb3 Sr3' loop_ _publ_author_name 'Cava R' 'Bordet P' 'Capponi J' 'Chaillout C' 'Chenavas J' 'Fournier T' 'Hewat E' 'Hodeau J' 'Levy J' 'Marezio M' 'Batlogg B' 'Rupp' _journal_name_full 'Physica C' _journal_volume 167 _journal_year 1990 _journal_page_first 67 _journal_page_last 74 _publ_section_title ; Pb3Sr3Cu3O8+$-deltaCl: a new layered copper oxychloride _cod_database_code 1008489 ; _database_code_amcsd 0016382 _chemical_formula_sum 'Pb3 Sr3 Cu3 O8 Cl' _cell_length_a 5.444 _cell_length_b 5.495 _cell_length_c 19.49 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 583.039 _exptl_crystal_density_diffrn 7.055 _symmetry_space_group_name_H-M 'C m m m' 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' '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 Pb1 0.00000 0.00000 0.40972 1.00000 Sr1 0.50000 0.00000 0.27579 1.00000 Pb2 0.50000 0.00000 0.09985 0.50000 Sr2 0.50000 0.00000 0.09985 0.50000 Cu1 0.50000 0.00000 0.50000 1.00000 Cu2 0.00000 0.00000 0.18304 1.00000 O1 0.00000 0.00000 0.30277 1.00000 O2 0.42880 0.07430 0.41260 0.25000 O3 0.25000 0.25000 0.17446 1.00000 Cl1 0.00000 0.00000 0.00000 1.00000 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 0.02060 0.01800 0.01410 0.00000 0.00000 0.00000 Sr1 0.01790 0.01590 0.02300 0.00000 0.00000 0.00000 Pb2 0.01190 0.01160 0.02730 0.00000 0.00000 0.00000 Sr2 0.01190 0.01160 0.02730 0.00000 0.00000 0.00000 Cu1 0.01910 0.01830 0.00670 0.00000 0.00000 0.00000 Cu2 0.01490 0.01310 0.01670 0.00000 0.00000 0.00000 Cl1 0.02500 0.03060 0.07770 0.00000 0.00000 0.00000