data_global _chemical_name_mineral 'Dolomite' loop_ _publ_author_name 'Althoff P L' _journal_name_full 'American Mineralogist' _journal_volume 62 _journal_year 1977 _journal_page_first 772 _journal_page_last 783 _publ_section_title ; Structural refinements of dolomite and a magnesian calcite and implications for dolomite formation in the marine environment ; _database_code_amcsd 0000584 _chemical_formula_sum 'Ca Mg C2 O6' _cell_length_a 4.8033 _cell_length_b 4.8033 _cell_length_c 15.984 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 319.371 _exptl_crystal_density_diffrn 2.876 _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 -0.24230 O 0.28290 0.03500 -0.24400 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 0.00482 0.00482 0.00492 0.00241 0.00000 0.00000 Mg 0.00359 0.00359 0.00518 0.00180 0.00000 0.00000 C 0.00438 0.00438 0.00129 0.00219 0.00000 0.00000 O 0.00359 0.00877 0.01035 0.00359 -0.00101 -0.00303