#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9001395.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9001395 _chemical_name 'Clinoptilolite-Na' loop_ _publ_author_name 'Armbruster T' 'Gunter M E' _journal_name_full "American Mineralogist" _journal_volume 76 _journal_year 1991 _journal_page_first 1872 _journal_page_last 1883 _publ_section_title ; Stepwise dehydration of heulandite-clinoptilolite from Succor Creek, Oregon, U.S.A.: A single-crystal X-ray study at 100K sample name: dehyd4 ; _chemical_formula_sum 'Na1.2 Ca.88 K.26 (Al4.08 Si13.92) O37.86 H3.12' _cell_length_a 17.00 _cell_length_b 16.66 _cell_length_c 7.350 _cell_angle_alpha 90 _cell_angle_beta 116.44 _cell_angle_gamma 90 _cell_volume 1863.927 _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 Na1* 0.29770 0.00000 0.94000 0.60000 0.05066 Ca2* 0.50000 -0.02950 0.50000 0.44000 0.07346 K3* 0.00000 0.00000 0.00000 0.26000 0.05066 Al1 0.18340 0.15130 0.08520 0.21000 0.02064 Si1 0.18340 0.15130 0.08520 0.79000 0.02064 Al2 0.32510 0.09140 0.51000 0.39000 0.01938 Si2 0.32510 0.09140 0.51000 0.61000 0.01938 Al3 0.25710 0.32390 0.24330 0.18000 0.02191 Si3 0.25710 0.32390 0.24330 0.82000 0.02191 Al4 0.07220 0.25670 0.43320 0.16000 0.01912 Si4 0.07220 0.25670 0.43320 0.84000 0.01912 Al5 0.00000 0.18640 0.00000 0.16000 0.02001 Si5 0.00000 0.18640 0.00000 0.84000 0.02001 O1 0.36780 0.00000 0.53900 1.00000 0.02913 O2 0.29920 0.11100 0.69710 1.00000 0.03293 O3 0.21100 0.12690 -0.09400 1.00000 0.03420 O4 0.24030 0.09890 0.28450 1.00000 0.03293 O5 0.00000 0.22790 0.50000 1.00000 0.05826 O6 0.07900 0.12870 0.01280 1.00000 0.02786 O7 0.33890 0.29410 0.45220 1.00000 0.04053 O8 0.03370 0.24510 0.19150 1.00000 0.04433 O9 0.19660 0.24720 0.12330 1.00000 0.03040 O10 0.09250 0.35170 0.47870 1.00000 0.03432 O-H19 0.08800 0.46800 0.84000 0.37000 0.10005 O-H20 0.59700 0.50000 0.22700 0.19000 0.05003