data_global _amcsd_formula_title 'F6 Fe Na Sr' loop_ _publ_author_name 'Hemon A' 'Courbion G' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 29 _journal_year 1992 _journal_page_first 519 _journal_page_last 531 _publ_section_title ; Synthesis and crystal structures of beta-NaSrCrF6 and NaSrFeF6. Structural correlations with A2MF6 compounds _cod_database_code 1000306 ; _database_code_amcsd 0012557 _chemical_formula_sum 'Sr Fe Na F6' _cell_length_a 5.4053 _cell_length_b 9.3103 _cell_length_c 10.3823 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 522.489 _exptl_crystal_density_diffrn 3.565 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+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 Sr1 0.00520 0.18579 0.82224 Fe1 0.03690 0.00090 0.12620 Na1 0.04430 0.64620 0.08260 F1 0.15640 0.33900 0.31780 F2 0.21800 0.15870 0.04810 F3 0.63910 0.00430 0.46690 F4 0.21890 0.02190 0.28370 F5 0.29010 0.37900 0.79640 F6 0.21160 0.14180 0.58660 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 Sr1 0.01040 0.01330 0.01170 -0.00090 0.00040 0.00030 Fe1 0.01140 0.01020 0.01060 0.00080 0.00000 0.00020 Na1 0.01810 0.01530 0.01690 0.00220 -0.00100 -0.00040 F1 0.02530 0.01430 0.03680 -0.00190 0.02040 -0.00480 F2 0.02350 0.01590 0.01940 -0.00800 -0.00300 0.00280 F3 0.02060 0.02270 0.01350 -0.00780 0.00470 -0.00180 F4 0.03350 0.03410 0.01830 0.01980 -0.01150 -0.01110 F5 0.02490 0.02320 0.01800 -0.01280 0.00120 -0.00280 F6 0.01770 0.01480 0.01870 0.00150 -0.00410 0.00050