data_global _chemical_name_mineral 'Norsethite' loop_ _publ_author_name 'Effenberger H' 'Zemann J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 171 _journal_year 1985 _journal_page_first 275 _journal_page_last 280 _publ_section_title ; Single crystal X-Ray investigation of norsethite, BaMg(CO3)2: one more mineral with an aplanar carbonate group Sample: Model 1 ; _database_code_amcsd 0010924 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba Mg C2 O6' _cell_length_a 5.022 _cell_length_b 5.022 _cell_length_c 16.770 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 366.283 _exptl_crystal_density_diffrn 3.831 _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 Ba 0.00000 0.00000 0.00000 Mg 0.00000 0.00000 0.50000 C 0.00000 0.00000 0.23910 O 0.14630 -0.14630 0.24200 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 Ba 0.01130 0.01130 0.01580 0.00565 0.00000 0.00000 Mg 0.00960 0.00960 0.01300 0.00480 0.00000 0.00000 C 0.01080 0.01080 0.01300 0.00540 0.00000 0.00000 O 0.04300 0.04300 0.02400 0.03900 0.00200 -0.00200