data_global _amcsd_formula_title 'UBe13' loop_ _publ_author_name 'McElfresh M W' 'Hall J H' 'Ryan R R' 'Smith J L' 'Fisk Z' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 1579 _journal_page_last 1580 _publ_section_title ; Structure of the heavy-fermion superconductor UBe13 Note: x-coordinate of U altered from reported value. ; _database_code_amcsd 0010170 _chemical_formula_sum 'U Be13' _cell_length_a 10.268 _cell_length_b 10.268 _cell_length_c 10.268 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1082.574 _exptl_crystal_density_diffrn 4.359 _symmetry_space_group_name_H-M 'F m 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' 'z,-x,y' 'z,1/2-x,1/2+y' '1/2+z,-x,1/2+y' '1/2+z,1/2-x,y' '-y,z,-x' '-y,1/2+z,1/2-x' '1/2-y,z,1/2-x' '1/2-y,1/2+z,-x' 'x,-y,z' 'x,1/2-y,1/2+z' '1/2+x,-y,1/2+z' '1/2+x,1/2-y,z' '-z,x,-y' '-z,1/2+x,1/2-y' '1/2-z,x,1/2-y' '1/2-z,1/2+x,-y' 'y,-z,x' 'y,1/2-z,1/2+x' '1/2+y,-z,1/2+x' '1/2+y,1/2-z,x' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' 'x,-z,1/2-y' 'x,1/2-z,-y' '1/2+x,-z,-y' '1/2+x,1/2-z,1/2-y' '-z,y,1/2+x' '-z,1/2+y,+x' '1/2-z,y,+x' '1/2-z,1/2+y,1/2+x' 'y,-x,1/2-z' 'y,1/2-x,-z' '1/2+y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,z,1/2+y' '-x,1/2+z,+y' '1/2-x,z,+y' '1/2-x,1/2+z,1/2+y' 'z,-y,1/2-x' 'z,1/2-y,-x' '1/2+z,-y,-x' '1/2+z,1/2-y,1/2-x' '-y,x,1/2+z' '-y,1/2+x,+z' '1/2-y,x,+z' '1/2-y,1/2+x,1/2+z' 'x,z,1/2+y' 'x,1/2+z,+y' '1/2+x,z,+y' '1/2+x,1/2+z,1/2+y' '-z,-y,1/2-x' '-z,1/2-y,-x' '1/2-z,-y,-x' '1/2-z,1/2-y,1/2-x' 'y,x,1/2+z' 'y,1/2+x,+z' '1/2+y,x,+z' '1/2+y,1/2+x,1/2+z' '-x,-z,1/2-y' '-x,1/2-z,-y' '1/2-x,-z,-y' '1/2-x,1/2-z,1/2-y' 'z,y,1/2+x' 'z,1/2+y,+x' '1/2+z,y,+x' '1/2+z,1/2+y,1/2+x' '-y,-x,1/2-z' '-y,1/2-x,-z' '1/2-y,-x,-z' '1/2-y,1/2-x,1/2-z' 'z,x,-y' 'z,1/2+x,1/2-y' '1/2+z,x,1/2-y' '1/2+z,1/2+x,-y' '-y,-z,x' '-y,1/2-z,1/2+x' '1/2-y,-z,1/2+x' '1/2-y,1/2-z,x' 'x,y,-z' 'x,1/2+y,1/2-z' '1/2+x,y,1/2-z' '1/2+x,1/2+y,-z' '-z,-x,y' '-z,1/2-x,1/2+y' '1/2-z,-x,1/2+y' '1/2-z,1/2-x,y' 'y,z,-x' 'y,1/2+z,1/2-x' '1/2+y,z,1/2-x' '1/2+y,1/2+z,-x' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' '-z,x,y' '-z,1/2+x,1/2+y' '1/2-z,x,1/2+y' '1/2-z,1/2+x,y' 'y,-z,-x' 'y,1/2-z,1/2-x' '1/2+y,-z,1/2-x' '1/2+y,1/2-z,-x' '-x,y,z' '-x,1/2+y,1/2+z' '1/2-x,y,1/2+z' '1/2-x,1/2+y,z' 'z,-x,-y' 'z,1/2-x,1/2-y' '1/2+z,-x,1/2-y' '1/2+z,1/2-x,-y' '-y,z,x' '-y,1/2+z,1/2+x' '1/2-y,z,1/2+x' '1/2-y,1/2+z,x' 'x,-y,-z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,z,1/2-y' '-x,1/2+z,-y' '1/2-x,z,-y' '1/2-x,1/2+z,1/2-y' 'z,-y,1/2+x' 'z,1/2-y,+x' '1/2+z,-y,+x' '1/2+z,1/2-y,1/2+x' '-y,x,1/2-z' '-y,1/2+x,-z' '1/2-y,x,-z' '1/2-y,1/2+x,1/2-z' 'x,-z,1/2+y' 'x,1/2-z,+y' '1/2+x,-z,+y' '1/2+x,1/2-z,1/2+y' '-z,y,1/2-x' '-z,1/2+y,-x' '1/2-z,y,-x' '1/2-z,1/2+y,1/2-x' 'y,-x,1/2+z' 'y,1/2-x,+z' '1/2+y,-x,+z' '1/2+y,1/2-x,1/2+z' '-x,-z,1/2+y' '-x,1/2-z,+y' '1/2-x,-z,+y' '1/2-x,1/2-z,1/2+y' 'z,y,1/2-x' 'z,1/2+y,-x' '1/2+z,y,-x' '1/2+z,1/2+y,1/2-x' '-y,-x,1/2+z' '-y,1/2-x,+z' '1/2-y,-x,+z' '1/2-y,1/2-x,1/2+z' 'x,z,1/2-y' 'x,1/2+z,-y' '1/2+x,z,-y' '1/2+x,1/2+z,1/2-y' '-z,-y,1/2+x' '-z,1/2-y,+x' '1/2-z,-y,+x' '1/2-z,1/2-y,1/2+x' 'y,x,1/2-z' 'y,1/2+x,-z' '1/2+y,x,-z' '1/2+y,1/2+x,1/2-z' '-z,-x,-y' '-z,1/2-x,1/2-y' '1/2-z,-x,1/2-y' '1/2-z,1/2-x,-y' 'y,z,x' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-z' '1/2-x,1/2-y,-z' 'z,x,y' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' '-y,-z,-x' '-y,1/2-z,1/2-x' '1/2-y,-z,1/2-x' '1/2-y,1/2-z,-x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv U 0.25000 0.25000 0.25000 0.00481 Be1 0.00000 0.00000 0.00000 0.00760 Be2 0.00000 0.11510 0.17650 ? 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 Be2 0.00800 0.01200 0.00900 0.00000 0.00000 -0.00300