data_9001510 _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 Dehyd 1 Data obtained from the ICSD ; _chemical_formula_sum '(Si14.52 Al3.48) O39.36 Na.56 Ca.444 Ba.16 K.84 H2.77' _cell_length_a 17.588 _cell_length_b 17.572 _cell_length_c 7.389 _cell_angle_alpha 90 _cell_angle_beta 116.77 _cell_angle_gamma 90 _cell_volume 2038.863 _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 0.18030 0.16550 0.09580 0.80000 ? Al1 0.18030 0.16550 0.09580 0.20000 ? Si2 0.29410 0.08960 0.50600 0.70000 ? Al2 0.29410 0.08960 0.50600 0.30000 ? Si3 0.28790 0.31270 0.27580 0.83000 ? Al3 0.28790 0.31270 0.27580 0.17000 ? Si4 0.06510 0.29150 0.41320 0.84000 ? Al4 0.06510 0.29150 0.41320 0.16000 ? Si5 0.00000 0.20750 0.00000 0.92000 ? Al5 0.00000 0.20750 0.00000 0.08000 ? O1 0.31590 0.00000 0.55520 1.00000 ? O2 0.24180 0.11790 0.62820 1.00000 ? O3 0.18850 0.14640 -0.11090 1.00000 ? O4 0.23940 0.10300 0.26070 1.00000 0.05000 O5 0.00000 0.31670 0.50000 1.00000 ? O6 0.08200 0.15370 0.05550 1.00000 ? O7 0.37030 0.27200 0.44950 1.00000 ? O8 0.01160 0.26150 0.18580 1.00000 ? O9 0.21070 0.25250 0.16880 1.00000 ? O10 0.11370 0.36810 0.40380 1.00000 ? Na 0.19500 0.00000 0.76000 0.28000 ? Ca 0.46320 0.00000 0.74800 0.22200 ? Ba 0.24130 0.50000 0.05700 0.08000 ? K1 0.24130 0.50000 0.05700 0.33000 ? K2 0.23000 0.00000 -0.01100 0.06000 0.05000 K3 0.21500 0.00000 0.14000 0.03000 0.05000 O-H11 0.08300 0.00000 0.87800 0.36000 ? O-H12 0.43300 0.91800 0.03700 0.41000 ? O-H13 0.00000 0.50000 0.50000 0.62000 ? O-H14 0.10100 0.00000 0.11200 0.19000 ?