data_global _chemical_name_mineral 'Woodallite' 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 0019807 _chemical_compound_source 'Mount Keith Nickel Mine, Western Australia, Australia' _chemical_formula_sum '(Mg.75 Cr.124 Al.039 Fe.087) O2.851 H2 C.07 Cl.11' _cell_length_a 3.10124 _cell_length_b 3.10124 _cell_length_c 23.6817 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 197.249 _exptl_crystal_density_diffrn 2.095 _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 Mg1 0.00000 0.00000 0.00000 0.75000 0.01343 Cr 0.00000 0.00000 0.00000 0.12400 0.01343 Al 0.00000 0.00000 0.00000 0.03900 0.01343 Fe 0.00000 0.00000 0.00000 0.08700 0.01343 O1 0.33333 0.66667 0.04159 1.00000 0.01343 H1 0.33333 0.66667 0.08168 1.00000 0.01343 O2 0.33780 0.33780 0.50000 0.14190 0.02533 C1 0.00000 0.00000 0.50000 0.07000 0.02533 Cl1 0.00000 0.00000 0.50000 0.11000 0.02533