data_global _chemical_name_mineral 'Eitelite' loop_ _publ_author_name 'Knobloch D' 'Pertlik F' 'Zemann J' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1980 _journal_year 1980 _journal_page_first 230 _journal_page_last 236 _publ_section_title ; Crystal structure refinements of buetschliite and eitelite: a contribution to the stereochemistry of trigonal carbonate minerals Note: synthetic ; _database_code_amcsd 0014765 _chemical_formula_sum 'Na2 Mg C2 O6' _cell_length_a 4.946 _cell_length_b 4.946 _cell_length_c 16.422 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 347.908 _exptl_crystal_density_diffrn 2.725 _symmetry_space_group_name_H-M 'R -3' 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' '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 Na 0.00000 0.00000 0.20144 Mg 0.00000 0.00000 0.00000 C 0.00000 0.00000 0.59049 O 0.21004 0.91957 0.58941 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 Na 0.01562 0.01562 0.02596 0.00781 0.00000 0.00000 Mg 0.00911 0.00911 0.00820 0.00455 0.00000 0.00000 C 0.00846 0.00846 0.00683 0.00423 0.00000 0.00000 O 0.01348 0.01738 0.01776 0.01004 0.00249 0.00428