data_global _amcsd_formula_title 'K Nb5 O25 Ti6' loop_ _publ_author_name 'Groult D' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 18 _journal_year 1983 _journal_page_first 141 _journal_page_last 146 _publ_section_title ; K Ti6 Nb5 O25: A member of a series of chemically twinned Rutile oxides (A M3 O9)(M2 O4)n _cod_database_code 1001235 ; _database_code_amcsd 0014300 _chemical_formula_sum 'K (Nb5 Ti6) O25' _cell_length_a 6.611 _cell_length_b 8.880 _cell_length_c 30.154 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1770.211 _exptl_crystal_density_diffrn 4.468 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K1 0.00000 0.79700 0.25000 1.00000 Nb1 0.00000 0.50000 0.00000 0.50000 Ti1 0.00000 0.50000 0.00000 0.50000 Nb2 0.00000 0.68600 0.10930 0.30000 Ti2 0.00000 0.68600 0.10930 0.70000 Nb3 0.00000 0.89500 0.03590 0.47500 Ti3 0.00000 0.89500 0.03590 0.52500 Nb4 0.00000 0.41900 0.18630 0.60000 Ti4 0.00000 0.41900 0.18630 0.40000 Nb5 0.00000 0.28800 0.08080 0.27500 Ti5 0.00000 0.28800 0.08080 0.72500 Nb6 0.00000 0.03870 0.14800 0.60000 Ti6 0.00000 0.03870 0.14800 0.40000 O1 0.00000 0.42300 0.25000 1.00000 O2 0.00000 0.20900 0.18780 1.00000 O3 0.00000 0.43600 0.11900 1.00000 O4 0.00000 0.66400 0.17550 1.00000 O5 0.00000 0.91000 0.10300 1.00000 O6 0.00000 0.69100 0.03720 1.00000 O7 0.00000 0.11000 0.02660 1.00000 O8 0.31100 0.41300 0.17470 1.00000 O9 0.31000 0.68300 0.11350 1.00000 O10 0.30500 0.87800 0.03700 1.00000