data_global _chemical_name_mineral 'Hydrotalcite' loop_ _publ_author_name 'Allmann R' 'Jepsen H P' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1969 _journal_year 1969 _journal_page_first 544 _journal_page_last 551 _publ_section_title ; Die struktur des hydrotalkits ; _database_code_amcsd 0014738 _chemical_compound_source 'Vezna, Western Moravia' _chemical_formula_sum '(Mg.667 Al.333) O3 H3 C.167' _cell_length_a 3.054 _cell_length_b 3.054 _cell_length_c 22.81 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 184.244 _exptl_crystal_density_diffrn 2.115 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg 0.00000 0.00000 0.00000 0.66667 Al 0.00000 0.00000 0.00000 0.33333 O1 0.00000 0.00000 0.37710 1.00000 H1 0.00000 0.00000 0.41440 1.00000 C 0.00000 0.00000 0.16700 0.08333 O2 0.09200 -0.09200 0.50000 0.08333 Wat 0.09200 -0.09200 0.50000 0.08333 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 Mg 0.01862 0.01862 0.02214 0.00931 0.00000 0.00000 Al 0.01862 0.01862 0.02214 0.00931 0.00000 0.00000 O1 0.03040 0.03040 0.02372 0.01520 0.00000 0.00000 H1 0.03825 0.03825 0.02609 0.01912 0.00000 0.00000 C 0.07650 0.07650 0.02609 0.03825 0.00000 0.00000 O2 0.13931 0.13931 0.02557 0.08612 0.00000 0.00000 Wat 0.13931 0.13931 0.02557 0.08612 0.00000 0.00000