data_global _amcsd_formula_title 'H2 Li Nb O7 W' loop_ _publ_author_name 'Michel C' 'Groult D' 'Raveau B' _journal_name_full 'Journal of Inorganic and Nuclear Chemistry' _journal_volume 37 _journal_year 1975 _journal_page_first 247 _journal_page_last 250 _publ_section_title ; Proprietes d'echange d'ions des pyrochlores A B2 O6 - I _cod_database_code 1001033 ; _database_code_amcsd 0013035 _chemical_formula_sum 'Li (Nb W) O7' _cell_length_a 10.397 _cell_length_b 10.397 _cell_length_c 10.397 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1123.891 _exptl_crystal_density_diffrn 4.677 _symmetry_space_group_name_H-M 'F d 3 m' 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' '3/4+z,3/4-x,1/4+y' '3/4+z,1/4-x,3/4+y' '1/4+z,3/4-x,3/4+y' '1/4+z,1/4-x,1/4+y' '-y,1/2+z,1/2-x' '-y,+z,-x' '1/2-y,1/2+z,-x' '1/2-y,+z,1/2-x' '3/4+x,3/4-y,1/4+z' '3/4+x,1/4-y,3/4+z' '1/4+x,3/4-y,3/4+z' '1/4+x,1/4-y,1/4+z' '-z,1/2+x,1/2-y' '-z,+x,-y' '1/2-z,1/2+x,-y' '1/2-z,+x,1/2-y' '3/4+y,3/4-z,1/4+x' '3/4+y,1/4-z,3/4+x' '1/4+y,3/4-z,3/4+x' '1/4+y,1/4-z,1/4+x' '-x,1/2+y,1/2-z' '-x,+y,-z' '1/2-x,1/2+y,-z' '1/2-x,+y,1/2-z' '1/2+x,-z,1/2-y' '1/2+x,1/2-z,-y' '+x,-z,-y' '+x,1/2-z,1/2-y' '3/4-z,3/4+y,1/4+x' '3/4-z,1/4+y,3/4+x' '1/4-z,3/4+y,3/4+x' '1/4-z,1/4+y,1/4+x' '1/2+y,-x,1/2-z' '1/2+y,1/2-x,-z' '+y,-x,-z' '+y,1/2-x,1/2-z' '3/4-x,3/4+z,1/4+y' '3/4-x,1/4+z,3/4+y' '1/4-x,3/4+z,3/4+y' '1/4-x,1/4+z,1/4+y' '1/2+z,-y,1/2-x' '1/2+z,1/2-y,-x' '+z,-y,-x' '+z,1/2-y,1/2-x' '3/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/4-y,3/4+x,3/4+z' '1/4-y,1/4+x,1/4+z' 'x,1/2+z,1/2+y' 'x,+z,+y' '1/2+x,1/2+z,+y' '1/2+x,+z,1/2+y' '1/4-z,3/4-y,3/4-x' '1/4-z,1/4-y,1/4-x' '3/4-z,3/4-y,1/4-x' '3/4-z,1/4-y,3/4-x' 'y,1/2+x,1/2+z' 'y,+x,+z' '1/2+y,1/2+x,+z' '1/2+y,+x,1/2+z' '1/4-x,3/4-z,3/4-y' '1/4-x,1/4-z,1/4-y' '3/4-x,3/4-z,1/4-y' '3/4-x,1/4-z,3/4-y' 'z,1/2+y,1/2+x' 'z,+y,+x' '1/2+z,1/2+y,+x' '1/2+z,+y,1/2+x' '1/4-y,3/4-x,3/4-z' '1/4-y,1/4-x,1/4-z' '3/4-y,3/4-x,1/4-z' '3/4-y,1/4-x,3/4-z' '3/4+z,1/4+x,3/4-y' '3/4+z,3/4+x,1/4-y' '1/4+z,1/4+x,1/4-y' '1/4+z,3/4+x,3/4-y' '-y,1/2-z,1/2+x' '-y,-z,+x' '1/2-y,1/2-z,+x' '1/2-y,-z,1/2+x' '3/4+x,1/4+y,3/4-z' '3/4+x,3/4+y,1/4-z' '1/4+x,1/4+y,1/4-z' '1/4+x,3/4+y,3/4-z' '-z,1/2-x,1/2+y' '-z,-x,+y' '1/2-z,1/2-x,+y' '1/2-z,-x,1/2+y' '3/4+y,1/4+z,3/4-x' '3/4+y,3/4+z,1/4-x' '1/4+y,1/4+z,1/4-x' '1/4+y,3/4+z,3/4-x' '-x,1/2-y,1/2+z' '-x,-y,+z' '1/2-x,1/2-y,+z' '1/2-x,-y,1/2+z' '1/4-z,3/4+x,3/4+y' '1/4-z,1/4+x,1/4+y' '3/4-z,3/4+x,1/4+y' '3/4-z,1/4+x,3/4+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' '1/4-x,3/4+y,3/4+z' '1/4-x,1/4+y,1/4+z' '3/4-x,3/4+y,1/4+z' '3/4-x,1/4+y,3/4+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' '1/4-y,3/4+z,3/4+x' '1/4-y,1/4+z,1/4+x' '3/4-y,3/4+z,1/4+x' '3/4-y,1/4+z,3/4+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' '1/2-x,1/2+z,-y' '1/2-x,+z,1/2-y' '-x,1/2+z,1/2-y' '-x,+z,-y' '1/4+z,3/4-y,3/4+x' '1/4+z,1/4-y,1/4+x' '3/4+z,3/4-y,1/4+x' '3/4+z,1/4-y,3/4+x' '1/2-y,1/2+x,-z' '1/2-y,+x,1/2-z' '-y,1/2+x,1/2-z' '-y,+x,-z' '1/4+x,3/4-z,3/4+y' '1/4+x,1/4-z,1/4+y' '3/4+x,3/4-z,1/4+y' '3/4+x,1/4-z,3/4+y' '1/2-z,1/2+y,-x' '1/2-z,+y,1/2-x' '-z,1/2+y,1/2-x' '-z,+y,-x' '1/4+y,3/4-x,3/4+z' '1/4+y,1/4-x,1/4+z' '3/4+y,3/4-x,1/4+z' '3/4+y,1/4-x,3/4+z' '-x,-z,y' '-x,1/2-z,1/2+y' '1/2-x,-z,1/2+y' '1/2-x,1/2-z,y' '3/4+z,3/4+y,1/4-x' '3/4+z,1/4+y,3/4-x' '1/4+z,3/4+y,3/4-x' '1/4+z,1/4+y,1/4-x' '-y,-x,z' '-y,1/2-x,1/2+z' '1/2-y,-x,1/2+z' '1/2-y,1/2-x,z' '3/4+x,3/4+z,1/4-y' '3/4+x,1/4+z,3/4-y' '1/4+x,3/4+z,3/4-y' '1/4+x,1/4+z,1/4-y' '-z,-y,x' '-z,1/2-y,1/2+x' '1/2-z,-y,1/2+x' '1/2-z,1/2-y,x' '3/4+y,3/4+x,1/4-z' '3/4+y,1/4+x,3/4-z' '1/4+y,3/4+x,3/4-z' '1/4+y,1/4+x,1/4-z' '1/4-z,1/4-x,1/4-y' '1/4-z,3/4-x,3/4-y' '3/4-z,1/4-x,3/4-y' '3/4-z,3/4-x,1/4-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' '1/4-x,1/4-y,1/4-z' '1/4-x,3/4-y,3/4-z' '3/4-x,1/4-y,3/4-z' '3/4-x,3/4-y,1/4-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' '1/4-y,1/4-z,1/4-x' '1/4-y,3/4-z,3/4-x' '3/4-y,1/4-z,3/4-x' '3/4-y,3/4-z,1/4-x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li1 0.62500 0.62500 0.62500 0.50000 Nb1 0.12500 0.12500 0.12500 0.50000 W1 0.12500 0.12500 0.12500 0.50000 O1 0.31800 0.00000 0.00000 1.00000 O2 0.50000 0.50000 0.50000 1.00000