data_global _chemical_name_mineral 'Faujasite-Na' loop_ _publ_author_name 'Porcher F' 'Souhassou M' 'Dusausoy Y' 'Lecomte C' _journal_name_full 'European Journal of Mineralogy' _journal_volume 11 _journal_year 1999 _journal_page_first 333 _journal_page_last 343 _publ_section_title ; The crystal structure of a low-silica dehydrated NaX zeolite ; _database_code_amcsd 0006772 _chemical_formula_sum 'Si3 Al3 O12 Na2.92' _cell_length_a 25.104 _cell_length_b 25.104 _cell_length_c 25.104 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 15820.812 _exptl_crystal_density_diffrn 1.425 _symmetry_space_group_name_H-M 'F d 3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '1/4+z,1/4+x,-y' '1/4+z,3/4+x,1/2-y' '3/4+z,1/4+x,1/2-y' '3/4+z,3/4+x,-y' '1/4+z,-x,1/4+y' '1/4+z,1/2-x,3/4+y' '3/4+z,-x,3/4+y' '3/4+z,1/2-x,1/4+y' '-z,1/4+x,1/4+y' '-z,3/4+x,3/4+y' '1/2-z,1/4+x,3/4+y' '1/2-z,3/4+x,1/4+y' '-z,-x,-y' '-z,1/2-x,1/2-y' '1/2-z,-x,1/2-y' '1/2-z,1/2-x,-y' 'y,3/4-z,3/4-x' 'y,1/4-z,1/4-x' '1/2+y,3/4-z,1/4-x' '1/2+y,1/4-z,3/4-x' '3/4-y,3/4-z,x' '3/4-y,1/4-z,1/2+x' '1/4-y,3/4-z,1/2+x' '1/4-y,1/4-z,x' '3/4-y,z,3/4-x' '3/4-y,1/2+z,1/4-x' '1/4-y,z,1/4-x' '1/4-y,1/2+z,3/4-x' 'y,z,x' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' '1/4+x,-y,1/4+z' '1/4+x,1/2-y,3/4+z' '3/4+x,-y,3/4+z' '3/4+x,1/2-y,1/4+z' '-x,1/4+y,1/4+z' '-x,3/4+y,3/4+z' '1/2-x,1/4+y,3/4+z' '1/2-x,3/4+y,1/4+z' '1/4+x,1/4+y,-z' '1/4+x,3/4+y,1/2-z' '3/4+x,1/4+y,1/2-z' '3/4+x,3/4+y,-z' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-z' '1/2-x,1/2-y,-z' '3/4-z,3/4-x,y' '3/4-z,1/4-x,1/2+y' '1/4-z,3/4-x,1/2+y' '1/4-z,1/4-x,y' '3/4-z,x,3/4-y' '3/4-z,1/2+x,1/4-y' '1/4-z,x,1/4-y' '1/4-z,1/2+x,3/4-y' 'z,3/4-x,3/4-y' 'z,1/4-x,1/4-y' '1/2+z,3/4-x,1/4-y' '1/2+z,1/4-x,3/4-y' 'z,x,y' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' '-y,1/4+z,1/4+x' '-y,3/4+z,3/4+x' '1/2-y,1/4+z,3/4+x' '1/2-y,3/4+z,1/4+x' '1/4+y,1/4+z,-x' '1/4+y,3/4+z,1/2-x' '3/4+y,1/4+z,1/2-x' '3/4+y,3/4+z,-x' '1/4+y,-z,1/4+x' '1/4+y,1/2-z,3/4+x' '3/4+y,-z,3/4+x' '3/4+y,1/2-z,1/4+x' '-y,-z,-x' '-y,1/2-z,1/2-x' '1/2-y,-z,1/2-x' '1/2-y,1/2-z,-x' '3/4-x,y,3/4-z' '3/4-x,1/2+y,1/4-z' '1/4-x,y,1/4-z' '1/4-x,1/2+y,3/4-z' 'x,3/4-y,3/4-z' 'x,1/4-y,1/4-z' '1/2+x,3/4-y,1/4-z' '1/2+x,1/4-y,3/4-z' '3/4-x,3/4-y,z' '3/4-x,1/4-y,1/2+z' '1/4-x,3/4-y,1/2+z' '1/4-x,1/4-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si -0.05427 0.12553 0.03502 1.00000 Al -0.05519 0.03586 0.12401 1.00000 O1 -0.10980 -0.00020 0.10580 1.00000 O2 -0.00110 -0.00290 0.14140 1.00000 O3 -0.03450 0.07500 0.07100 1.00000 O4 -0.06930 0.07320 0.17940 1.00000 Na1 0.04750 0.04750 0.04750 0.97000 Na2 0.22830 0.22830 0.22830 0.93000 Na3 0.39440 0.10400 0.14600 0.16000 Na4 0.40420 0.06500 0.06800 0.18000 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 Si 0.02370 0.01930 0.01610 -0.00530 0.00070 -0.00340 Al 0.02370 0.01480 0.01800 0.00060 -0.00370 -0.00280 O1 0.03100 0.05800 0.03200 -0.01400 -0.00200 -0.01000 O2 0.02900 0.03100 0.03700 0.00900 -0.01100 -0.01200 O3 0.05500 0.03000 0.02900 -0.00400 -0.00100 0.00600 O4 0.03500 0.03800 0.03900 -0.00200 -0.00100 -0.02200 Na1 0.05800 0.05800 0.05800 0.01000 0.01000 0.01000 Na2 0.03400 0.03400 0.03400 0.01100 0.01100 0.01100 Na3 0.06000 0.10000 0.10000 -0.02000 0.02000 0.04000 Na4 0.02000 0.26000 0.21000 0.00000 -0.01000 0.07000