data_global _chemical_name_mineral 'Brannockite' loop_ _publ_author_name 'Armbruster T' 'Oberhansli R' _journal_name_full 'American Mineralogist' _journal_volume 73 _journal_year 1988 _journal_page_first 595 _journal_page_last 600 _publ_section_title ; Crystal chemistry of double-ring silicates: Structures of sugilite and brannockite Sample: small domain ; _database_code_amcsd 0001159 _chemical_formula_sum 'K Sn2 Li3 Si12 O30' _cell_length_a 10.002 _cell_length_b 10.002 _cell_length_c 14.263 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1235.706 _exptl_crystal_density_diffrn 2.995 _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 K 0.00000 0.00000 0.25000 Sn 0.33333 0.66667 0.25000 Li 0.50000 0.50000 0.25000 Si 0.23840 0.35640 0.39050 O1 0.13130 0.39710 0.00000 O2 0.22340 0.28000 0.13510 O3 0.15920 0.50400 0.17330 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 K 0.01700 0.01700 0.02100 0.00850 0.00000 0.00000 Sn 0.00390 0.00390 0.00900 0.00195 0.00000 0.00000 Li 0.01400 0.01400 0.01500 0.00700 0.00000 0.00000 Si 0.00330 0.00360 0.00580 0.00170 0.00060 0.00070 O1 0.02000 0.02000 0.00800 0.00800 0.00000 0.00000 O2 0.00700 0.01100 0.01600 0.00700 0.00000 -0.00100 O3 0.00500 0.00500 0.00800 0.00100 -0.00100 -0.00200