data_global _chemical_name_mineral 'Fergusonite-(Y)' loop_ _publ_author_name 'Komkov A I' _journal_name_full 'Soviet Physics Crystallography' _journal_volume 4 _journal_year 1959 _journal_page_first 796 _journal_page_last 800 _publ_section_title ; The structure of natural fergusonite, and of a polymorphic modification Sample: annealed at T = 1000 C for t = 15 min ; _database_code_amcsd 0015539 _chemical_compound_source 'Ural Mountains, Russia' _chemical_formula_sum '(Y.85 Yb.15) Nb O4' _cell_length_a 5.05 _cell_length_b 10.89 _cell_length_c 5.27 _cell_angle_alpha 90 _cell_angle_beta 94.50 _cell_angle_gamma 90 _cell_volume 288.928 _exptl_crystal_density_diffrn 5.941 _symmetry_space_group_name_H-M 'I 1 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y1 0.00000 0.47600 0.00000 0.85000 Yb1 0.00000 0.47600 0.00000 0.15000 Y2 0.00000 0.23800 0.50000 0.85000 Yb2 0.00000 0.23800 0.50000 0.15000 Nb1 0.00000 0.00000 0.00000 1.00000 Nb2 0.00000 0.71400 0.50000 1.00000 O1 -0.18500 0.08000 0.25000 1.00000 O2 -0.25000 0.83000 0.31500 1.00000 O3 -0.18500 0.65000 0.75000 1.00000 O4 -0.25000 0.90000 0.81500 1.00000