data_global _chemical_name_mineral 'Clinoptilolite-(Cs)' loop_ _publ_author_name 'Smyth J R' 'Spaid A T' 'Bish D L' _journal_name_full 'American Mineralogist' _journal_volume 75 _journal_year 1990 _journal_page_first 522 _journal_page_last 528 _publ_section_title ; Crystal structures of a natural and a Cs-exchanged clinoptilolite Cs-exchanged sample ; _database_code_amcsd 0001305 _chemical_formula_sum '(Si7.81 Al1.19) O21.64 Cs.995 H7.28' _cell_length_a 17.692 _cell_length_b 17.945 _cell_length_c 7.404 _cell_angle_alpha 90 _cell_angle_beta 116.4 _cell_angle_gamma 90 _cell_volume 2105.499 _exptl_crystal_density_diffrn 2.326 _symmetry_space_group_name_H-M 'C 1 2/m 1' 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' 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 Si1 0.17810 0.16990 0.09370 0.88000 ? Al1 0.17810 0.16990 0.09370 0.12000 ? Si2 0.21390 0.41070 0.50690 0.71000 ? Al2 0.21390 0.41070 0.50690 0.29000 ? Si3 0.20960 0.19030 0.71670 0.90000 ? Al3 0.20960 0.19030 0.71670 0.10000 ? Si4 0.06740 0.29760 0.41830 0.92000 ? Al4 0.06740 0.29760 0.41830 0.08000 ? Si5 0.00000 0.21790 0.00000 0.99000 ? Al5 0.00000 0.21790 0.00000 0.01000 ? O1 0.19650 0.50000 0.46220 1.00000 ? O2 0.23590 0.12100 0.61830 1.00000 ? O3 0.18670 0.15530 0.88850 1.00000 ? O4 0.22980 0.10480 0.25010 1.00000 ? O5 0.00000 0.32090 0.50000 1.00000 ? O6 0.07900 0.16390 0.04560 1.00000 ? O7 0.12720 0.23040 0.54870 1.00000 ? O8 0.01570 0.27070 0.18680 1.00000 ? O9 0.21310 0.25160 0.18430 1.00000 ? O10 0.11990 0.37170 0.42790 1.00000 ? Cs1 0.02830 0.00000 0.12740 0.17900 ? Cs2 -0.01160 0.50000 0.47400 0.21700 ? Cs3 0.19130 0.50000 -0.03270 0.08800 ? Cs4 0.05930 0.00000 0.25210 0.18400 ? Cs5 0.28290 0.00000 0.97990 0.32700 ? Wat1 0.38090 0.50000 0.30110 1.00000 ? Wat2 0.42290 0.07710 0.03790 1.00000 ? Wat3 0.54120 0.00000 0.21410 0.64000 0.01127 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 Si1 0.00636 0.02121 0.00847 0.00000 0.00266 0.00181 Al1 0.00636 0.02121 0.00847 0.00000 0.00266 0.00181 Si2 0.01145 0.01305 0.01292 0.00000 0.00479 0.00060 Al2 0.01145 0.01305 0.01292 0.00000 0.00479 0.00060 Si3 0.01145 0.01631 0.01025 0.00144 0.00266 0.00181 Al3 0.01145 0.01631 0.01025 0.00144 0.00266 0.00181 Si4 0.01018 0.01795 0.01025 -0.00144 0.00266 0.00060 Al4 0.01018 0.01795 0.00067 -0.00144 0.00266 0.00060 Si5 0.00763 0.01795 0.01092 0.00000 0.00106 0.00000 Al5 0.00763 0.01795 0.01092 0.00000 0.00106 0.00000 O1 0.03562 0.01468 0.02696 0.00000 0.00319 0.00000 O2 0.04071 0.03263 0.03476 -0.00720 0.01970 -0.00965 O3 0.04071 0.03589 0.02963 0.00000 0.01757 0.00000 O4 0.03435 0.03589 0.02718 0.00864 0.00905 0.00543 O5 0.04326 0.04731 0.04523 0.00000 0.02928 0.00000 O6 0.01654 0.02773 0.03520 0.00288 0.01331 -0.00121 O7 0.03308 0.03589 0.03877 0.01441 0.00106 0.01869 O8 0.03435 0.04242 0.01961 0.00576 0.00479 -0.00965 O9 0.02672 0.03100 0.04144 -0.00720 0.01384 -0.00904 O10 0.02672 0.03263 0.04701 -0.01153 0.01650 -0.00121 Cs1 0.24935 0.01142 0.40106 0.00000 0.27153 0.00000 Cs2 0.00382 0.02773 0.07353 0.00000 0.01065 0.00000 Cs3 0.09033 0.17456 0.16711 0.00000 -0.00532 0.00000 Cs4 0.08651 0.11746 0.12923 0.00000 0.04792 0.00000 Cs5 0.20864 0.02121 0.08467 0.00000 0.11181 0.00000 Wat1 0.23536 0.05710 0.38992 0.00000 -0.13310 0.00000 Wat2 0.15903 0.11420 0.12544 -0.02305 -0.03727 0.00965