data_global _amcsd_formula_title 'H Nb O3' loop_ _publ_author_name 'Fourquet J' 'Renou M' 'De Pape R' _journal_name_full 'Revue de Chimie Minerale' _journal_volume 21 _journal_year 1984 _journal_page_first 383 _journal_page_last 390 _publ_section_title ; La reaction d'echange topotactique Li Nb O3 -> H Nb O3 en milieu acide _cod_database_code 1000401 ; _database_code_amcsd 0015397 _chemical_formula_sum 'Nb O3 H1.02' _cell_length_a 7.645 _cell_length_b 7.645 _cell_length_c 7.645 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 446.820 _exptl_crystal_density_diffrn 4.220 _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 1.00000 O1 0.00000 0.18900 0.28900 1.00000 H1 0.00000 0.06000 0.30400 0.17000 H2 0.00000 0.19600 0.44000 0.17000