data_global _chemical_name_mineral 'Dolomite' loop_ _publ_author_name 'Antao S M' 'Mulder W H' 'Hassan I' 'Crichton W A' 'Parise J B' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 1142 _journal_page_last 1147 _publ_section_title ; Cation disorder in dolomite, CaMg(CO3)2, and its influence on the aragonite+magnesite - dolomite reaction boundary Sample: P = 3 GPa, T = 1106 K ; _database_code_amcsd 0003607 _chemical_formula_sum '(Ca.5 Mg.5) C O3' _cell_length_a 4.7944 _cell_length_b 4.7944 _cell_length_c 16.0212 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 318.929 _exptl_crystal_density_diffrn 2.880 _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 _atom_site_occupancy _atom_site_U_iso_or_equiv Ca 0.00000 0.00000 0.00000 0.94900 0.06220 Mg 0.00000 0.00000 0.00000 0.05100 0.06220 Mg 0.00000 0.00000 0.50000 0.94900 0.06220 Ca 0.00000 0.00000 0.50000 0.05100 0.06220 C 0.00000 0.00000 0.23140 1.00000 0.02600 O 0.24760 -0.04540 0.24420 1.00000 0.04200