data_global _amcsd_formula_title '(CN3H6)3Be2F7' loop_ _publ_author_name 'Aleonard S' 'Gorius M' _journal_name_full 'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences' _journal_volume 309 _journal_year 1989 _journal_page_first 683 _journal_page_last 687 _publ_section_title ; Structure cristalline du pyrofluoroberyllate de guanidinium (CN3H6)3Be2F7 _cod_database_code 1008449 ; _database_code_amcsd 0016354 _chemical_formula_sum 'Be2 F7 N9 C3 H18' _cell_length_a 14.59 _cell_length_b 14.59 _cell_length_c 14.59 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3105.746 _exptl_crystal_density_diffrn 1.417 _symmetry_space_group_name_H-M 'I a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2+z,x,1/2-y' '+z,1/2+x,-y' '1/2+z,-x,y' '+z,1/2-x,1/2+y' '-z,x,1/2+y' '1/2-z,1/2+x,+y' '-z,-x,-y' '1/2-z,1/2-x,1/2-y' '1/2+y,1/2-z,-x' '+y,-z,1/2-x' '-y,1/2-z,x' '1/2-y,-z,1/2+x' '1/2-y,z,-x' '-y,1/2+z,1/2-x' 'y,z,x' '1/2+y,1/2+z,1/2+x' 'x,1/2-y,1/2+z' '1/2+x,-y,+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' '1/2-z,-x,1/2+y' '-z,1/2-x,+y' '1/2-z,x,-y' '-z,1/2+x,1/2-y' 'z,-x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' '1/2-y,1/2+z,x' '-y,+z,1/2+x' 'y,1/2+z,-x' '1/2+y,+z,1/2-x' '1/2+y,-z,x' '+y,1/2-z,1/2+x' '-y,-z,-x' '1/2-y,1/2-z,1/2-x' '-x,1/2+y,1/2-z' '1/2-x,+y,-z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,1/2-y,z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Be1 0.43940 0.43940 0.43940 F1 0.97360 0.44980 0.15850 F2 0.00000 0.00000 0.50000 N1 0.17300 0.33620 0.01570 N2 0.00000 0.25000 0.20300 C1 0.25000 0.29180 0.00000 H1 0.10900 0.49300 0.32400 H2 0.19900 0.53000 0.12100 H3 0.17700 0.01000 0.20500 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 Be1 0.04100 0.04100 0.04100 -0.00200 -0.00200 -0.00200 F1 0.08000 0.08500 0.05240 0.01150 -0.01700 -0.01230 F2 0.11700 0.11700 0.11700 0.03800 0.03800 -0.03800 N1 0.06600 0.06600 0.08800 0.01600 -0.00300 -0.01000 N2 0.11000 0.09600 0.04000 0.02200 0.00000 0.00000 C1 0.05100 0.03700 0.05400 0.00000 -0.00500 0.00000