data_global _amcsd_formula_title 'Cs Nb O7 Ti2' loop_ _publ_author_name 'Hervieu M' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 32 _journal_year 1980 _journal_page_first 161 _journal_page_last 165 _publ_section_title ; A Layer Structure: The Titanoniobate Cs Ti2 Nb O7 _cod_database_code 1001131 ; _database_code_amcsd 0013382 _chemical_formula_sum 'Cs (Ti2 Nb) O7' _cell_length_a 9.326 _cell_length_b 18.412 _cell_length_c 3.798 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 652.156 _exptl_crystal_density_diffrn 4.416 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs1 0.29210 0.21170 0.75000 1.00000 Ti1 0.95380 0.06290 0.25000 0.80000 Ti2 0.26000 0.02090 0.25000 0.90000 Ti3 0.61980 0.11590 0.25000 0.30000 Nb1 0.95380 0.06290 0.25000 0.20000 Nb2 0.26000 0.02090 0.25000 0.10000 Nb3 0.61980 0.11590 0.25000 0.70000 O1 0.53610 0.21180 0.25000 1.00000 O2 0.81720 0.14110 0.25000 1.00000 O3 0.14800 0.09820 0.25000 1.00000 O4 0.43050 0.05990 0.25000 1.00000 O5 0.22870 0.49830 0.25000 1.00000 O6 0.54780 0.54130 0.25000 1.00000 O7 0.84010 0.60000 0.25000 1.00000