data_global _chemical_name_mineral 'Cordierite' loop_ _publ_author_name 'Schwartz K B' 'Leong D B' 'McConville R L' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 20 _journal_year 1994 _journal_page_first 563 _journal_page_last 574 _publ_section_title ; Structural chemistry of synthetic cordierite: evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites Sample: Synthesized in 5 at% bismuth oxide flux at 1000 C for 12 hours Note: tetrahedral site occupancies are assumed, not refined ; _database_code_amcsd 0007856 _chemical_formula_sum 'Mg2 Al4 Si5 O18 Bi.116' _cell_length_a 17.0299 _cell_length_b 9.7424 _cell_length_c 9.3481 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1550.963 _exptl_crystal_density_diffrn 2.609 _symmetry_space_group_name_H-M 'C c c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,1/2+z' '1/2-x,1/2+y,1/2+z' 'x,-y,1/2-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2-x,1/2-y,z' '-x,-y,-z' '1/2-x,1/2-y,-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 MgM 0.33690 0.00000 0.25000 1.00000 0.01153 AlT11 0.25000 0.25000 0.25250 1.00000 0.00925 SiT16 0.00000 0.50000 0.25000 1.00000 0.01064 SiT21 0.19140 0.08030 0.00000 1.00000 0.01089 SiT23 0.13430 -0.23800 0.00000 1.00000 0.01039 AlT26 0.04990 0.31060 0.00000 1.00000 0.00684 O11 0.24700 -0.10370 0.35840 1.00000 0.01317 O16 0.06370 -0.41630 0.34920 1.00000 0.00975 O13 -0.17350 -0.31080 0.35780 1.00000 0.01115 O26 0.04200 -0.25080 0.00000 1.00000 0.01849 O21 0.11990 0.18830 0.00000 1.00000 0.01836 O23 0.16330 -0.08120 0.00000 1.00000 0.01659 BiC1 0.00000 0.00000 0.25000 0.08400 0.16465 BiC2 0.00000 0.00000 0.00000 0.03200 0.10132