data_global _amcsd_formula_title 'F3 H2 N Na O4 Sb' loop_ _publ_author_name 'Bourgault M' 'Ducourant B' 'Mascherpa Corral D' 'Fourcade R' _journal_name_full 'Journal of Fluorine Chemistry' _journal_volume 17 _journal_year 1981 _journal_page_first 305 _journal_page_last 315 _publ_section_title ; Structure cristalline de Na Sb F3 (N O3) (H2 O). Etude de la liaison hydrogene O-H-X (X=Cl, Br, (N O3) ) _cod_database_code 1008120 ; _database_code_amcsd 0016062 _chemical_formula_sum 'Sb Na F3 O4 N' _cell_length_a 18.18 _cell_length_b 11.505 _cell_length_c 5.660 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1183.851 _exptl_crystal_density_diffrn 3.139 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sb1 0.36646 0.60123 0.16200 Na1 0.48410 0.14330 0.81830 F1 0.44600 0.69310 0.02800 F2 0.40740 0.46990 0.99800 F3 0.43870 0.55190 0.40200 O1 0.08860 0.69990 0.14500 O2 0.22660 0.56980 0.86000 O3 0.32840 0.64840 0.75700 O4 0.23210 0.68530 0.55800 N1 0.26140 0.63370 0.72300 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 Sb1 0.00850 0.01360 0.02640 -0.00050 -0.01030 0.00040 Na1 0.01380 0.02410 0.02450 -0.00440 0.00410 0.00230 F1 0.01090 0.02640 0.03070 -0.02130 0.01680 -0.00510 F2 0.01520 0.02140 0.04020 0.01540 0.00080 0.02590 F3 0.01670 0.02910 0.02840 -0.00590 -0.01830 -0.00160 O1 0.01230 0.02940 0.02730 0.00340 0.00410 0.00720 O2 0.02100 0.02780 0.03790 0.02950 -0.01690 0.00850 O3 0.00980 0.04140 0.03930 0.00840 -0.00770 -0.01340 O4 0.01780 0.04330 0.03220 0.00320 0.00590 -0.02460 N1 0.01500 0.01950 0.02890 0.00580 0.00870 -0.00380