data_global _chemical_name_mineral 'Takovite' loop_ _publ_author_name 'Mills S J' 'Whitfield P S' 'Kampf A R' 'Wilson S A' 'Dipple G M' 'Raudsepp M' 'Favreau G' _journal_name_full 'Journal of Geosciences' _journal_volume 58 _journal_year 2012 _journal_page_first 273 _journal_page_last 279 _publ_section_title ; Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected ; _database_code_amcsd 0019806 _chemical_compound_source 'Agoudal mine, Bou Azzer district, Tazenakht, Morocco' _chemical_formula_sum '(Ni.623 Al.377) C.34 O3.02 H2' _cell_length_a 3.0290 _cell_length_b 3.0290 _cell_length_c 22.5995 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 179.568 _exptl_crystal_density_diffrn 2.806 _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 _atom_site_U_iso_or_equiv Ni 0.00000 0.00000 0.00000 0.62300 0.00950 Al 0.00000 0.00000 0.00000 0.37700 0.00950 C 0.33333 0.66667 0.49920 0.17000 0.06300 O1 0.33333 0.66667 0.04374 1.00000 0.01600 O2 0.16800 0.16800 0.50000 0.17000 0.03600 H 0.33333 0.66667 0.08220 1.00000 0.01900 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 Ni 0.00770 0.00770 0.01320 0.00387 0.00000 0.00000 Al 0.00770 0.00770 0.01320 0.00387 0.00000 0.00000 C 0.07400 0.07400 0.04000 0.03700 0.00000 0.00000 O1 0.01780 0.01780 0.01240 0.00890 0.00000 0.00000 O2 0.04000 0.04000 0.02200 0.01500 0.00060 -0.00060