data_global _chemical_name_mineral 'Osumilite' loop_ _publ_author_name 'Winter W' 'Armbruster T' 'Lengauer C' _journal_name_full 'European Journal of Mineralogy' _journal_volume 7 _journal_year 1995 _journal_page_first 277 _journal_page_last 286 _publ_section_title ; Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: CBa, BaMg2Al6Si9O30 ; _database_code_amcsd 0006585 _chemical_formula_sum 'Ba Mg2 Si9 Al6 O30' _cell_length_a 10.129 _cell_length_b 10.129 _cell_length_c 14.340 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1274.128 _exptl_crystal_density_diffrn 2.817 _symmetry_space_group_name_H-M 'P 6/m c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,-z' '-x,-y,z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,-z' 'y,-x+y,z' '-x+y,y,1/2+z' 'x-y,-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_occupancy _atom_site_U_iso_or_equiv BaC 0.00000 0.00000 0.25000 1.00000 0.02339 MgA 0.33333 0.66667 0.25000 1.00000 0.00671 SiT1 0.10461 0.35270 0.10916 0.75000 0.00797 AlT1 0.10461 0.35270 0.10916 0.25000 0.00797 AlT2 0.50000 0.50000 0.25000 1.00000 0.00671 O1 0.12050 0.40160 0.00000 1.00000 0.01786 O2 0.21340 0.28070 0.13670 1.00000 0.02356 O3 0.13860 0.49510 0.17939 1.00000 0.01140 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 BaC 0.02380 0.02380 0.02250 0.01191 0.00000 0.00000 MgA 0.00620 0.00620 0.00780 0.00310 0.00000 0.00000 SiT1 0.00810 0.01010 0.00600 0.00480 0.00010 -0.00100 AlT1 0.00810 0.01010 0.00600 0.00480 0.00010 -0.00100 AlT2 0.00860 0.00860 0.00540 0.00630 0.00000 0.00000 O1 0.02600 0.01900 0.00770 0.01000 0.00000 0.00000 O2 0.02730 0.03600 0.02000 0.02550 -0.00010 -0.00330 O3 0.01200 0.01370 0.00990 0.00750 -0.00150 -0.00330