data_global _chemical_name_mineral 'Dolomite' loop_ _publ_author_name 'Miser D E' 'Swinnea J S' 'Steinfink H' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 188 _journal_page_last 193 _publ_section_title ; TEM observations and X-ray crystal-structure refinement of a twinned dolomite with a modulated microstructure ; _database_code_amcsd 0001065 _chemical_formula_sum 'Ca Mg C2 O6' _cell_length_a 4.811 _cell_length_b 4.811 _cell_length_c 16.047 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 321.659 _exptl_crystal_density_diffrn 2.856 _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 Ca 0.00000 0.00000 0.00000 Mg 0.00000 0.00000 0.50000 C 0.00000 0.00000 0.24300 O 0.24760 0.96500 0.24410 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 Ca 0.01080 0.01080 0.01130 0.00540 0.00000 0.00000 Mg 0.00690 0.00690 0.00980 0.00345 0.00000 0.00000 C 0.00990 0.00990 0.00800 0.00495 0.00000 0.00000 O 0.00960 0.01400 0.01670 0.00720 -0.00230 -0.00300