data_1011296 _chemical_name_systematic 'Yttrium fluoride' _chemical_formula_structural 'Y F3' _chemical_formula_sum 'F3 Y' _publ_section_title ; Die Kristallstruktur des kubischen Yttriumfluorids Y F3 ; _publ_author_name 'Nowacki, W' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 100 _journal_year 1938 _journal_page_first 242 _journal_page_last 250 _cell_length_a 5.644(3) _cell_length_b 5.644 _cell_length_c 5.644 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 179.8 _cell_formula_units_Z 3 _exptl_crystal_density_meas 4.02 _symmetry_space_group_name_H-M 'P m -3 m' _symmetry_Int_Tables_number 221 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,z,x' 'z,x,y' 'x,z,y' 'y,x,z' 'z,y,x' 'x,-y,-z' 'y,-z,-x' 'z,-x,-y' 'x,-z,-y' 'y,-x,-z' 'z,-y,-x' '-x,y,-z' '-y,z,-x' '-z,x,-y' '-x,z,-y' '-y,x,-z' '-z,y,-x' '-x,-y,z' '-y,-z,x' '-z,-x,y' '-x,-z,y' '-y,-x,z' '-z,-y,x' '-x,-y,-z' '-y,-z,-x' '-z,-x,-y' '-x,-z,-y' '-y,-x,-z' '-z,-y,-x' '-x,y,z' '-y,z,x' '-z,x,y' '-x,z,y' '-y,x,z' '-z,y,x' 'x,-y,z' 'y,-z,x' 'z,-x,y' 'x,-z,y' 'y,-x,z' 'z,-y,x' 'x,y,-z' 'y,z,-x' 'z,x,-y' 'x,z,-y' 'y,x,-z' 'z,y,-x' loop_ _atom_type_symbol _atom_type_oxidation_number Y3+ 3.000 F1- -1.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Y1 Y3+ 3 c 0.5 0.5 0. 1. 0 d F1 F1- 1 b 0.5 0.5 0.5 1. 0 d F2 F1- 8 g 0.25 0.25 0.25 1. 0 d