data_9001509 _chemical_name 'Clinoptilolite' loop_ _publ_author_name 'Armbruster T' _journal_name_full "American Mineralogist" _journal_volume 78 _journal_year 1993 _journal_page_first 260 _journal_page_last 264 _publ_section_title ; Dehydration mechanism of clinoptilolite and heulandite: Single-crystal X-ray study of Na-poor, Ca-, K-, Mg-rich clinoptilolite at 100 K Sample Natural Data obtained from the ICSD ; _chemical_formula_sum '(Si14.52 Al3.48) O48.2 Na.96 Ca.784 Ba.16 K.28 Mg.36 H23' _cell_length_a 17.622 _cell_length_b 17.895 _cell_length_c 7.399 _cell_angle_alpha 90 _cell_angle_beta 116.45 _cell_angle_gamma 90 _cell_volume 2089.007 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _symmetry_equiv_pos_as_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_Uiso_or_equiv Si1 0.17930 0.16960 0.09770 0.80000 ? Al1 0.17930 0.16960 0.09770 0.20000 ? Si2 0.28610 0.08930 0.49790 0.70000 ? Al2 0.28610 0.08930 0.49790 0.30000 ? Si3 0.29370 0.30940 0.28560 0.83000 ? Al3 0.29370 0.30940 0.28560 0.17000 ? Si4 0.06480 0.30010 0.41240 0.84000 ? Al4 0.06480 0.30010 0.41240 0.16000 ? Si5 0.00000 0.21710 0.00000 0.92000 ? Al5 0.00000 0.21710 0.00000 0.08000 ? O1 0.30220 0.00000 0.54470 1.00000 ? O2 0.23010 0.12100 0.60970 1.00000 ? O3 0.18270 0.15460 -0.11500 1.00000 ? O4 0.23540 0.10460 0.25320 1.00000 ? O5 0.00000 0.32820 0.50000 1.00000 ? O6 0.08150 0.16270 0.06330 1.00000 ? O7 0.37640 0.26700 0.45200 1.00000 ? O8 0.00840 0.27040 0.18340 1.00000 0.05000 O9 0.21400 0.25250 0.18420 1.00000 0.10000 O10 0.11930 0.37230 0.40630 1.00000 ? Na 0.14220 0.00000 0.67460 0.48000 ? Ca 0.45840 0.00000 0.80110 0.39200 ? Ba 0.24800 0.50000 0.05500 0.08000 ? K 0.24800 0.50000 0.05500 0.14000 ? Mg 0.00000 0.00000 0.50000 0.36000 ? O-H11 0.71100 0.00000 0.97300 0.30000 ? O-H12 0.09600 0.00000 0.78400 1.00000 ? O-H13 0.41980 0.91890 0.03480 1.00000 ? O-H14 0.00000 0.50000 0.50000 1.00000 ? O-H15 -0.00700 0.10140 0.57300 0.41000 ? O-H16 0.04400 0.00000 0.08000 0.53000 ? O-H17 0.44000 0.46600 0.68600 0.30000 ? O-H18 0.10100 0.00000 0.11200 0.19000 ? O-H19 0.36300 0.00000 0.19200 0.16000 ?