#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000648.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_9000648 _chemical_name 'Analcime' loop_ _publ_author_name 'Mazzi F' 'Galli E' _journal_name_full "American Mineralogist" _journal_volume 63 _journal_year 1978 _journal_page_first 448 _journal_page_last 460 _publ_section_title ; Is each analcime different? ANA 7 ; _chemical_formula_sum '(Si4.02 Al1.98) Na2.01 O14 H2' _cell_length_a 13.727 _cell_length_b 13.714 _cell_length_c 13.740 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2586.583 _symmetry_space_group_name_H-M 'I b c a' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,1/2-y,1/2+z' '1/2+x,-y,+z' '-x,1/2+y,1/2-z' '1/2-x,+y,-z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,1/2-y,z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 Si11 0.12400 0.16210 0.41250 0.70000 0.01127 Al11 0.12400 0.16210 0.41250 0.30000 0.01127 Si12 0.41240 0.12540 0.16260 0.81000 0.01102 Al12 0.41240 0.12540 0.16260 0.19000 0.01102 Si2 0.16220 0.41230 0.12540 0.50000 0.01102 Al2 0.16220 0.41230 0.12540 0.50000 0.01102 Na11 0.12570 0.00000 0.25000 0.69000 0.03698 Na12 0.25000 0.12480 0.00000 0.52000 0.03192 Na2 0.00000 0.25000 0.12460 0.80000 0.03648 O11 0.10390 0.36320 0.22060 1.00000 0.02710 O12 0.38610 0.14590 0.46980 1.00000 0.02710 O21 0.21810 0.10460 0.36580 1.00000 0.02748 O22 0.14500 0.46820 0.38250 1.00000 0.02786 O31 0.36760 0.21970 0.10470 1.00000 0.02875 O32 0.47040 0.38450 0.14590 1.00000 0.02812 Wat 0.12710 0.12390 0.12380 1.00000 0.07637