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 2 ; _database_code_amcsd 0010925 _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 2' 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' '-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 0.23920 O 0.16400 -0.12900 0.24160 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 0.00950 0.00950 0.01300 0.00475 0.00000 0.00000 C 0.01100 0.01100 0.01200 0.00550 0.00000 0.00000 O 0.03500 0.04200 0.02500 0.03300 -0.01000 -0.01400