data_global _amcsd_formula_title 'Al F5 H2 O Rb2' loop_ _publ_author_name 'Fourquet J' 'Plet F' 'de Pape R' _journal_name_full 'Revue de Chimie Minerale' _journal_volume 18 _journal_year 1981 _journal_page_first 19 _journal_page_last 26 _publ_section_title ; La structure cristalline de Rb2 Al F5, H2 O. Retour critique sur le type structural Tl2 Al F5 _cod_database_code 1000200 ; _database_code_amcsd 0015391 _chemical_formula_sum 'Rb2 Al F5 O' _cell_length_a 9.604 _cell_length_b 8.379 _cell_length_c 7.542 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 606.919 _exptl_crystal_density_diffrn 3.381 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Rb1 0.28350 0.21950 0.25000 Al1 0.00000 0.00000 0.00000 F1 0.18460 0.00000 0.00000 F2 0.00000 0.21380 0.00900 F3 0.00000 0.99060 0.25000 O1 0.00000 0.45670 0.25000 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 Rb1 0.02470 0.01940 0.01570 -0.00670 0.00000 0.00000 Al1 0.01260 0.00950 0.00610 0.00000 0.00000 -0.00090 F1 0.01420 0.02420 0.01660 0.00000 0.00000 -0.00340 F2 0.03080 0.01130 0.01720 0.00000 0.00000 0.00240 F3 0.02920 0.02180 0.00660 0.00000 0.00000 0.00000 O1 0.03370 0.02370 0.03680 0.00000 0.00000 0.00000