data_global _amcsd_formula_title 'H0.6 Nb0.6 O3 W0.4' loop_ _publ_author_name 'Fourquet J' 'Gillet P' 'Le B' _journal_name_full 'Materials Research Bulletin' _journal_volume 23 _journal_year 1988 _journal_page_first 1253 _journal_page_last 1260 _publ_section_title ; Li/H topotactic exchange on beta-Li(1-x) Nb(1-x) Wx O3 (O <= x <= 0.5): the series H(1-x)Nb(1-x)WxO3 _cod_database_code 1000279 ; _database_code_amcsd 0014339 _chemical_formula_sum '(Nb.6 W.4) O3' _cell_length_a 7.5875 _cell_length_b 7.5875 _cell_length_c 7.5875 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 436.814 _exptl_crystal_density_diffrn 5.391 _symmetry_space_group_name_H-M 'I m 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'z,x,-y' '1/2+z,1/2+x,1/2-y' 'z,-x,y' '1/2+z,1/2-x,1/2+y' '-z,x,y' '1/2-z,1/2+x,1/2+y' '-z,-x,-y' '1/2-z,1/2-x,1/2-y' 'y,-z,-x' '1/2+y,1/2-z,1/2-x' '-y,-z,x' '1/2-y,1/2-z,1/2+x' '-y,z,-x' '1/2-y,1/2+z,1/2-x' 'y,z,x' '1/2+y,1/2+z,1/2+x' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' '-z,-x,y' '1/2-z,1/2-x,1/2+y' '-z,x,-y' '1/2-z,1/2+x,1/2-y' 'z,-x,-y' '1/2+z,1/2-x,1/2-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' '-y,z,x' '1/2-y,1/2+z,1/2+x' 'y,z,-x' '1/2+y,1/2+z,1/2-x' 'y,-z,x' '1/2+y,1/2-z,1/2+x' '-y,-z,-x' '1/2-y,1/2-z,1/2-x' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '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 Nb1 0.25000 0.25000 0.25000 0.60000 W1 0.25000 0.25000 0.25000 0.40000 O1 0.00000 0.21000 0.29400 1.00000