data_global _chemical_name_mineral 'Edingtonite' loop_ _publ_author_name 'Mazzi F' 'Galli E' 'Gottardi G' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1984 _journal_year 1984 _journal_page_first 373 _journal_page_last 382 _publ_section_title ; Crystal structure refinement of two tetragonal edingtonites ; _database_code_amcsd 0014791 _chemical_compound_source 'Old Kilpatrick, Dumbartonshire, Scotland' _chemical_formula_sum 'Ba.879 Na.03 K.025 (Si3.06 Al1.94) O13.75 H7.5' _cell_length_a 9.584 _cell_length_b 9.584 _cell_length_c 6.524 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 599.249 _exptl_crystal_density_diffrn 2.706 _symmetry_space_group_name_H-M 'P -4 21 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,-x,-z' '1/2-x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,x,-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 _atom_site_U_iso_or_equiv Ba1 0.50000 0.00000 0.64094 0.87900 ? Na2 0.50000 0.00000 0.56820 0.03000 ? K2 0.50000 0.00000 0.56820 0.02500 ? SiT1 0.00000 0.00000 0.00000 0.61200 ? AlT1 0.00000 0.00000 0.00000 0.38800 ? SiT2 -0.17305 0.09353 0.38143 0.61200 ? AlT2 -0.17305 0.09353 0.38143 0.38800 ? O1 0.17405 0.32595 0.62263 1.00000 ? O2/3 -0.04438 0.19586 0.46509 1.00000 ? O4/5 -0.13730 0.03829 0.14457 1.00000 ? Ow1 0.17470 0.32530 0.14450 0.93900 0.04053 Ow2 0.37900 0.12100 -0.01950 0.93600 0.05509 H1 0.23850 0.36930 0.05940 0.93900 0.04433 H2 0.41340 0.20200 0.04350 0.93600 0.05699 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 Ba1 0.01550 0.01550 0.02223 -0.00286 0.00000 0.00000 Na2 0.02116 0.02116 0.00570 -0.00389 0.00000 0.00000 K2 0.02116 0.02116 0.00570 -0.00389 0.00000 0.00000 SiT1 0.00892 0.00892 0.00682 0.00000 0.00000 0.00000 AlT1 0.00892 0.00892 0.00682 0.00000 0.00000 0.00000 SiT2 0.00772 0.00911 0.00801 0.00079 0.00017 0.00050 AlT2 0.00772 0.00911 0.00801 0.00079 0.00017 0.00050 O1 0.01293 0.01293 0.01921 -0.00189 -0.00042 0.00042 O2/3 0.01591 0.01739 0.01509 -0.00287 -0.00315 0.00171 O4/5 0.01456 0.02294 0.01502 0.00190 0.00244 -0.00118