data_global _chemical_name_mineral 'Strontianite' loop_ _publ_author_name 'de Villiers J P R' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 758 _journal_page_last 767 _publ_section_title ; Crystal structures of aragonite, strontianite, and witherite ; _database_code_amcsd 0000234 _chemical_formula_sum 'Sr C O3' _cell_length_a 5.090 _cell_length_b 8.358 _cell_length_c 5.997 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 255.126 _exptl_crystal_density_diffrn 3.844 _symmetry_space_group_name_H-M 'P m c n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sr 0.25000 0.41600 0.75690 0.00643 C 0.25000 0.76010 -0.08640 0.00750 O1 0.25000 0.91190 -0.09460 0.01156 O2 0.46940 0.68210 -0.08390 0.01009