#------------------------------------------------------------------------------ #$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $ #$Revision: 893 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009234.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_9009234 loop_ _publ_author_name 'Bish D L' _publ_section_title ; Rietveld refinement of the kaolinite structure at 1.5 K Note: sample at T = 1.5 K Locality: Keokuk, Iowa, USA ; _journal_name_full 'Clays and Clay Minerals' _journal_page_first 738 _journal_page_last 744 _journal_volume 41 _journal_year 1993 _chemical_formula_sum 'Al2 H4 O9 Si2' _chemical_name_mineral Kaolinite _symmetry_space_group_name_H-M 'C 1' _cell_angle_alpha 91.926 _cell_angle_beta 105.046 _cell_angle_gamma 89.797 _cell_length_a 5.1535 _cell_length_b 8.9419 _cell_length_c 7.3906 _cell_volume 328.708 _diffrn_ambient_temperature 1.5 _[local]_cod_chemical_formula_sum_orig 'Al2 Si2 O9 H4' loop_ _symmetry_equiv_pos_as_xyz 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_U_iso_or_equiv Al1 0.28900 0.49660 0.46600 0.04000 Al2 0.79300 0.32880 0.46500 0.04000 Si1 0.98900 0.33950 0.09060 0.04200 Si2 0.50700 0.16650 0.09380 0.04200 O1 0.04900 0.34820 0.31680 0.04400 O2 0.11300 0.65990 0.31880 0.04400 O3 0.00000 0.50000 0.00000 0.04400 O4 0.20400 0.22910 0.03000 0.04400 O5 0.19700 0.76410 0.00100 0.04400 O-h1 0.05000 0.97100 0.32500 0.03900 O-h2 0.96000 0.16580 0.60700 0.03900 O-h3 0.03700 0.47260 0.60460 0.03900 O-h4 0.03800 0.85820 0.60900 0.03900 H1 0.14500 0.06510 0.32600 0.07300 H2 0.06300 0.16380 0.73900 0.04700 H3 0.03600 0.50570 0.73200 0.05600 H4 0.53400 0.31540 0.72800 0.04900 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 H1 0.03300 0.05000 0.11000 0.01900 0.03300 0.00600 H2 0.08400 0.05100 -0.00800 -0.01100 -0.01000 -0.01400 H3 0.06600 0.08000 0.02800 0.02500 0.01600 0.00300 H4 0.06700 0.09300 -0.02400 0.00000 -0.00600 0.02500