data_global _chemical_name_mineral 'Cryolite' loop_ _publ_author_name 'Hawthorne F C' 'Ferguson R B' _journal_name_full 'The Canadian Mineralogist' _journal_volume 13 _journal_year 1975 _journal_page_first 377 _journal_page_last 382 _publ_section_title ; Refinement of the crystal structure of cryolite ; _database_code_amcsd 0005118 _chemical_formula_sum 'Al Na3 F6' _cell_length_a 5.4024 _cell_length_b 5.5959 _cell_length_c 7.7564 _cell_angle_alpha 90 _cell_angle_beta 90.278 _cell_angle_gamma 90 _cell_volume 234.483 _exptl_crystal_density_diffrn 2.973 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al 0.00000 0.00000 0.00000 Na1 0.00000 0.00000 0.50000 Na2 0.51330 -0.05190 0.24740 F1 0.10260 0.04550 0.21940 F2 -0.27320 0.17370 0.04620 F3 0.16340 0.26900 -0.06300 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 Al 0.00825 0.00827 0.00872 0.00000 0.00004 0.00000 Na1 0.01359 0.01356 0.01365 0.00000 -0.00053 0.00000 Na2 0.01825 0.01767 0.02310 -0.00268 0.00004 0.00033 F1 0.01931 0.02023 0.01033 0.00055 -0.00344 -0.00169 F2 0.01382 0.01731 0.01972 0.00671 0.00376 0.00183 F3 0.01684 0.01344 0.02246 -0.00513 -0.00134 0.00526