data_global _amcsd_formula_title 'Ba2 F18 Zn7' loop_ _publ_author_name 'Renaudin J' 'Ferey G' 'de Kozak A' 'Samouel M' _journal_name_full 'Revue de Chimie Minerale' _journal_volume 23 _journal_year 1986 _journal_page_first 497 _journal_page_last 507 _publ_section_title ; Structure cristalline de Ba2 Zn7 F18 _cod_database_code 1000497 ; _database_code_amcsd 0015400 _chemical_formula_sum 'Ba2 Zn7 F18' _cell_length_a 7.032 _cell_length_b 7.292 _cell_length_c 7.505 _cell_angle_alpha 94.24 _cell_angle_beta 92.82 _cell_angle_gamma 116.39 _cell_volume 342.335 _exptl_crystal_density_diffrn 5.211 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 0.31600 0.68770 0.63200 Zn1 0.00000 0.00000 0.50000 Zn2 0.19160 0.87150 0.17910 Zn3 0.82170 0.61980 0.80620 Zn4 0.61040 0.73310 0.12400 F1 0.47850 0.56140 0.32240 F2 0.10850 0.77130 0.92410 F3 0.71620 0.98880 0.55650 F4 0.91870 0.71770 0.57210 F5 0.90710 0.87280 0.23900 F6 0.70360 0.82380 0.88000 F7 0.10270 0.60460 0.28480 F8 0.49720 0.92750 0.18390 F9 0.67880 0.48610 0.02580 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 Ba1 0.01050 0.00940 0.01150 0.00560 -0.00150 0.00040 Zn1 0.01070 0.00750 0.00910 0.00610 0.00120 0.00200 Zn2 0.01040 0.00680 0.00940 0.00510 -0.00080 0.00120 Zn3 0.00980 0.00810 0.00920 0.00530 0.00080 0.00110 Zn4 0.01030 0.00810 0.00950 0.00550 0.00070 0.00180 F1 0.01020 0.01360 0.01300 0.00620 0.00020 0.00150 F2 0.00980 0.01280 0.01180 0.00120 -0.00140 -0.00200 F3 0.00980 0.01340 0.01600 0.00480 0.00200 0.00120 F4 0.02170 0.00980 0.01020 0.00810 0.00770 0.00530 F5 0.00910 0.01260 0.01060 0.00490 0.00030 -0.00250 F6 0.01510 0.01020 0.01000 0.00770 0.00130 0.00170 F7 0.01960 0.01080 0.01520 0.00970 0.00060 0.00300 F8 0.01140 0.01150 0.02080 0.00780 0.00080 -0.00110 F9 0.01360 0.01040 0.01320 0.00780 -0.00100 0.00320