data_global _chemical_name_mineral 'Doyleite' loop_ _publ_author_name 'Clark G R' 'Rodgers K A' 'Henderson G S' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 213 _journal_year 1998 _journal_page_first 96 _journal_page_last 100 _publ_section_title ; The crystal chemistry of doyleite, Al(OH)3 ; _database_code_amcsd 0011076 _chemical_compound_source 'Mont St. Hilaire, Quebec' _chemical_formula_sum 'Al O3 H3' _cell_length_a 4.9997 _cell_length_b 5.1681 _cell_length_c 4.9832 _cell_angle_alpha 97.444 _cell_angle_beta 118.688 _cell_angle_gamma 104.661 _cell_volume 104.386 _exptl_crystal_density_diffrn 2.482 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Al 0.32690 -0.00060 0.16700 1.00000 ? O1 0.08680 0.20900 0.20160 1.00000 ? O2 0.72230 0.21490 0.56630 1.00000 ? O3 0.46720 0.21070 -0.05500 1.00000 ? H1 0.16000 0.40000 0.30000 0.50000 0.05000 H2 0.88000 0.40000 0.64000 0.50000 0.05000 H3 0.56000 0.40000 0.00000 0.50000 0.05000 H4 0.16000 0.18000 0.40000 0.50000 0.05000 H5 0.88000 0.18000 0.52000 0.50000 0.05000 H6 0.32000 0.18000 -0.26000 0.50000 0.05000 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 Al 0.00980 0.01330 0.01140 0.00630 0.00590 0.00260 O1 0.01070 0.01220 0.01520 0.00610 0.00510 0.00070 O2 0.00990 0.01330 0.01370 0.00490 0.00630 0.00260 O3 0.01440 0.01170 0.01480 0.00820 0.01000 0.00440