data_global _amcsd_formula_title 'Nb1.15 O5 Rb0.85 Ti0.85' loop_ _publ_author_name 'Rebbah A' 'Desgardin G' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 31 _journal_year 1980 _journal_page_first 321 _journal_page_last 328 _publ_section_title ; Nonstoichiometric oxides with a layer structure: The compounds A1-x(Ti1-xM1+x)O5 _cod_database_code 1001084 ; _database_code_amcsd 0013376 _chemical_formula_sum 'Rb.85 (Ti.85 Nb1.15) O5' _cell_length_a 6.499 _cell_length_b 3.812 _cell_length_c 19.36 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 479.628 _exptl_crystal_density_diffrn 4.157 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb1 0.77800 0.25000 0.80150 0.85000 Ti1 0.30700 0.25000 0.02920 0.51000 Nb1 0.30700 0.25000 0.02920 0.49000 Ti2 0.76600 0.25000 0.10630 0.34000 Nb2 0.76600 0.25000 0.10630 0.66000 O1 0.06400 0.25000 0.07300 1.00000 O2 0.65000 0.25000 -0.00200 1.00000 O3 0.47200 0.25000 0.11600 1.00000 O4 0.79500 0.25000 0.20100 1.00000 O5 0.22300 0.25000 0.92200 1.00000