data_global _chemical_name_mineral 'Barylite' loop_ _publ_author_name 'Abrashev K K' 'Ilyukhin V V' 'Belov N V' _journal_name_full 'Soviet Physics Crystallography' _journal_volume 9 _journal_year 1965 _journal_page_first 691 _journal_page_last 699 _publ_section_title ; Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD ; _database_code_amcsd 0019221 _chemical_compound_source 'Vishnevye Hills, USSR' _chemical_formula_sum 'Ba Be2 Si2 O7' _cell_length_a 9.79 _cell_length_b 11.01 _cell_length_c 4.63 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 499.058 _exptl_crystal_density_diffrn 4.306 _symmetry_space_group_name_H-M 'P n 21 a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2-z' '1/2-x,1/2+y,1/2+z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba 0.14200 0.75000 0.25000 Bel 0.17500 0.00100 -0.25000 Be2 -0.17000 0.00500 0.25000 Si1 -0.09600 0.88000 -0.25000 Si2 0.10000 0.12500 0.25000 O1 0.07300 0.89700 0.72000 O2 0.87000 0.88500 0.13000 O3 0.18100 0.03000 0.40200 O4 -0.13000 0.75000 0.69000 O5 -0.07000 0.11000 0.21000 O6 -0.18500 -0.02500 0.59500 O7 0.11000 0.11500 0.87400