data_global _amcsd_formula_title 'Ba Nb4 O17 Ti3' loop_ _publ_author_name 'Mezaoui D' 'Michel C' 'Groult D' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 21 _journal_year 1986 _journal_page_first 1039 _journal_page_last 1044 _publ_section_title ; A M3 O9 (M2 O4)n: A series of oxides derived from the rutile structure by chemical twinning _cod_database_code 1001353 ; _database_code_amcsd 0014320 _chemical_formula_sum 'Ba (Ti3 Nb4) O17' _cell_length_a 6.639 _cell_length_b 8.957 _cell_length_c 21.145 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1257.399 _exptl_crystal_density_diffrn 4.884 _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 Ba1 0.00000 0.98070 0.25000 1.00000 Ti1 0.00000 0.10260 0.05680 0.60000 Nb1 0.00000 0.10260 0.05680 0.40000 Ti2 0.00000 0.34460 0.34040 0.22500 Nb2 0.00000 0.34460 0.34040 0.77500 Ti3 0.00000 0.73590 0.38780 0.30000 Nb3 0.00000 0.73590 0.38780 0.70000 Ti4 0.00000 0.50000 0.50000 0.75000 Nb4 0.00000 0.50000 0.50000 0.25000 O1 0.00000 0.54600 0.33650 1.00000 O2 0.00000 0.30400 0.25000 1.00000 O3 0.00000 0.31500 0.45490 1.00000 O4 0.00000 0.88900 0.45390 1.00000 O5 0.00000 0.12000 0.35700 1.00000 O6 0.19500 0.19700 0.65710 1.00000 O7 0.28000 0.09600 0.45620 1.00000