data_1009014 _chemical_name_systematic 'Yttrium oxide' _chemical_formula_structural 'Y2 O3' _chemical_formula_sum 'O3 Y2' _publ_section_title ; Rietveld refinement of two-phase Zr-doped Y2 O3 ; loop_ _publ_author_name 'Baldinozzi, G' 'Berar, J-F' 'Calvarin, G' _journal_name_full 'Materials Science Forum' _journal_coden_ASTM MSFOEP _journal_volume 278 _journal_year 1998 _journal_page_first 680 _journal_page_last 685 _cell_length_a 10.5961(3) _cell_length_b 10.5961(3) _cell_length_c 10.5961(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1189.7 _cell_formula_units_Z 16 _symmetry_space_group_name_H-M 'I a -3' _symmetry_Int_Tables_number 206 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,-y,1/2-z' '1/2-x,y,-z' '-x,1/2-y,z' 'y,z,x' '-y,1/2-z,x' 'y,-z,1/2-x' '1/2-y,z,-x' 'z,x,y' '1/2-z,x,-y' '-z,1/2-x,y' 'z,-x,1/2-y' '-x,-y,-z' '-x,y,1/2+z' '1/2+x,-y,z' 'x,1/2+y,-z' '-y,-z,-x' 'y,1/2+z,-x' '-y,z,1/2+x' '1/2+y,-z,x' '-z,-x,-y' '1/2+z,-x,y' 'z,1/2+x,-y' '-z,x,1/2+y' '1/2+x,1/2+y,1/2+z' '1/2+x,1/2-y,-z' '-x,1/2+y,1/2-z' '1/2-x,-y,1/2+z' '1/2+y,1/2+z,1/2+x' '1/2-y,-z,1/2+x' '1/2+y,1/2-z,-x' '-y,1/2+z,1/2-x' '1/2+z,1/2+x,1/2+y' '-z,1/2+x,1/2-y' '1/2-z,-x,1/2+y' '1/2+z,1/2-x,-y' '1/2-x,1/2-y,1/2-z' '1/2-x,1/2+y,z' 'x,1/2-y,1/2+z' '1/2+x,y,1/2-z' '1/2-y,1/2-z,1/2-x' '1/2+y,z,1/2-x' '1/2-y,1/2+z,x' 'y,1/2-z,1/2+x' '1/2-z,1/2-x,1/2-y' 'z,1/2-x,1/2+y' '1/2+z,x,1/2-y' '1/2-z,1/2+x,y' loop_ _atom_type_symbol _atom_type_oxidation_number Y3+ 3.000 O2- -2.000 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+ 24 d 0.96739(5) 0. 0.25 1. 0 d Y2 Y3+ 8 b 0.25 0.25 0.25 1. 0 d O1 O2- 48 e 0.39075(7) 0.15189(7) 0.38012(6) 1. 0 d _refine_ls_R_factor_all 0.011