data_global _chemical_name_mineral 'Dickite' loop_ _publ_author_name 'Joswig W' 'Drits V A' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1986 _journal_year 1986 _journal_page_first 19 _journal_page_last 22 _publ_section_title ; The orientation of the hydroxyl groups in dickite by X-ray diffraction Note: z-coordinate of Si1 altered to reproduce reported bond lengths ; _database_code_amcsd 0014797 _chemical_compound_source 'Kilantyubinsk mine, USSR' _chemical_formula_sum 'Si2 Al2 O9 H4' _cell_length_a 5.1375 _cell_length_b 8.9178 _cell_length_c 14.389 _cell_angle_alpha 90 _cell_angle_beta 96.74 _cell_angle_gamma 90 _cell_volume 654.679 _exptl_crystal_density_diffrn 2.619 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+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_U_iso_or_equiv Si1 0.01230 0.40160 0.04070 ? Si2 -0.00130 0.07296 0.04013 ? Al1 -0.08540 0.25257 0.23162 ? Al2 0.41930 0.41760 0.23092 ? O1 -0.04250 0.23810 -0.00620 ? O2 0.25640 0.47200 -0.00640 ? O3 -0.23550 0.50690 0.00700 ? O4 0.07860 0.39090 0.15200 ? O5 0.00530 0.08170 0.15160 ? O6 0.58340 0.27570 0.15680 ? O7 0.24460 0.27700 0.29550 ? O8 0.24870 0.89420 0.29790 ? O9 0.32270 0.58420 0.29530 ? H1 0.52200 0.20000 0.15700 0.01200 H2 0.29400 0.26700 0.34900 0.01100 H3 0.28300 0.95100 0.34600 0.04300 H4 0.28900 0.56900 0.34800 ? 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 Si1 0.00700 0.00770 0.00550 0.00020 0.00070 0.00030 Si2 0.00810 0.00820 0.00530 0.00000 0.00050 0.00020 Al1 0.00850 0.00820 0.00790 0.00090 0.00080 0.00050 Al2 0.00850 0.00780 0.00690 0.00050 0.00080 0.00000 O1 0.01330 0.00760 0.00790 -0.00090 0.00060 -0.00050 O2 0.01080 0.01260 0.00920 -0.00260 0.00270 -0.00160 O3 0.00990 0.01200 0.01160 0.00310 0.00280 0.00340 O4 0.00830 0.01080 0.00670 -0.00110 0.00040 -0.00030 O5 0.01360 0.00780 0.00550 -0.00010 0.00200 -0.00060 O6 0.01040 0.01030 0.01030 0.00150 -0.00100 -0.00240 O7 0.01100 0.01340 0.00740 -0.00170 -0.00130 0.00240 O8 0.01210 0.01080 0.01030 0.00190 0.00000 -0.00420 O9 0.01530 0.00980 0.00740 0.00060 0.00340 0.00110