#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/9/9009959.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_9009959 _chemical_name 'K6.16Al6.16Ge9.84O32*4H2O' loop_ _publ_author_name 'Tripathi A' 'Parise J B' _journal_name_full "Microporous and Mesoporous Materials" _journal_volume 52 _journal_year 2002 _journal_page_first 65 _journal_page_last 78 _publ_section_title ; Hydrothermal synthesis and structural characterization of the aluminogermanate analogues of JBW, montesommaite, analcime and paracelsian Sample: K-AlGe-MON ; _chemical_formula_sum 'K.77 (Al.77 Ge1.23) O4.5 H4' _cell_length_a 7.373 _cell_length_b 7.373 _cell_length_c 17.513 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 952.027 _symmetry_space_group_name_H-M 'I -4 2 d' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-y,-x,3/4+z' '-y,1/2-x,1/4+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,1/2+y,1/4-z' '1/2-x,+y,3/4-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '1/2+y,x,3/4+z' '+y,1/2+x,1/4+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'x,1/2-y,1/4-z' '1/2+x,-y,3/4-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 K -0.01170 0.25000 0.12500 0.77000 0.10400 Al 0.47590 0.22310 0.03540 0.38500 0.01100 Ge 0.47590 0.22310 0.03540 0.61500 0.01100 O1 0.50000 0.00000 0.00670 1.00000 0.03300 O2 0.37740 0.25000 0.12500 1.00000 0.02200 O3 0.68690 0.32730 0.03260 1.00000 0.02300 Wat 0.00630 0.00090 0.00100 0.25000 0.01700