data_global _chemical_name_mineral 'Kaolinite' loop_ _publ_author_name 'Bish D L' _journal_name_full 'Clays and Clay Minerals' _journal_volume 41 _journal_year 1993 _journal_page_first 738 _journal_page_last 744 _publ_section_title ; Rietveld refinement of the kaolinite structure at 1.5 K Note: sample at T = 1.5 K ; _database_code_amcsd 0012237 _chemical_compound_source 'Keokuk, Iowa, USA' _chemical_formula_sum 'Al2 Si2 O9 H4' _cell_length_a 5.1535 _cell_length_b 8.9419 _cell_length_c 7.3906 _cell_angle_alpha 91.926 _cell_angle_beta 105.046 _cell_angle_gamma 89.797 _cell_volume 328.708 _exptl_crystal_density_diffrn 2.608 _symmetry_space_group_name_H-M 'C 1' loop_ _space_group_symop_operation_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