data_global _chemical_name_mineral 'Rumseyite' loop_ _publ_author_name 'Turner R W' 'Siidra O I' 'Krivovichev S V' 'Stanley C J' 'Spratt J' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 1247 _journal_page_last 1255 _publ_section_title ; Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides ; _database_code_amcsd 0019618 _chemical_compound_source 'Merehead quarry, Somerset, England' _chemical_formula_sum 'Pb2 (O F) Cl' _cell_length_a 4.065 _cell_length_b 4.065 _cell_length_c 12.631 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 208.717 _exptl_crystal_density_diffrn 7.715 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 Pb 0.00000 0.00000 0.14690 1.00000 0.06100 OF 0.50000 0.00000 0.25000 0.50000 0.04900 FO 0.50000 0.00000 0.25000 0.50000 0.04900 Cl 0.50000 0.50000 0.00000 1.00000 0.05600 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 0.06500 0.06500 0.05200 0.00000 0.00000 0.00000 OF 0.04900 0.04900 0.05000 0.00000 0.00000 0.00000 FO 0.04900 0.04900 0.05000 0.00000 0.00000 0.00000 Cl 0.06200 0.06200 0.04300 0.00000 0.00000 0.00000