data_global _amcsd_formula_title 'Li1.6 Mg1.6 O8 Sn2.8' loop_ _publ_author_name 'Choisnet J' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 14 _journal_year 1979 _journal_page_first 1381 _journal_page_last 1389 _publ_section_title ; Une nouvelle structure hexagonale compacte ordonne: les oxydes (Sn - x3)octa (M - Li)tetra O8 avec X = Sn(Ti)+ M + Li et M = Zn, Mg _cod_database_code 1001289 ; _database_code_amcsd 0014277 _chemical_formula_sum 'Sn.7 Mg.4 Li.4 O2' _cell_length_a 6.077 _cell_length_b 6.077 _cell_length_c 9.829 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 314.354 _exptl_crystal_density_diffrn 5.392 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn1 0.33333 0.66667 0.49700 1.00000 Sn2 0.16800 -0.16800 0.22200 0.60000 Mg1 0.16800 -0.16800 0.22200 0.20000 Li1 0.16800 -0.16800 0.22200 0.20000 Mg2 0.33333 0.66667 -0.09200 1.00000 Li2 0.00000 0.00000 0.53800 1.00000 O1 0.00000 0.00000 0.33600 1.00000 O2 0.33333 0.66667 0.12700 1.00000 O3 0.46700 -0.46700 0.36900 1.00000 O4 0.16300 -0.16300 0.62500 1.00000