data_global _amcsd_formula_title 'Ca3 Fe2 O8 Ti' loop_ _publ_author_name 'Rodriguez Carvajal J' 'Vallet Regi M' 'Gonzalez Calbet J' _journal_name_full 'Materials Research Bulletin' _journal_volume 24 _journal_year 1989 _journal_page_first 423 _journal_page_last 430 _publ_section_title ; Perovskite Threefold Superlattices: A Structure Determination of the A3 M3 O8 Phase _cod_database_code 1006023 ; _database_code_amcsd 0014340 _chemical_formula_sum 'Fe2 Ti Ca3 O8' _cell_length_a 5.5295 _cell_length_b 11.2045 _cell_length_c 5.4379 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 336.907 _exptl_crystal_density_diffrn 4.020 _symmetry_space_group_name_H-M 'P c m 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,y,1/2+z' 'x,-y,z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe1 0.30900 0.00000 0.05000 1.00000 Ti1 0.25800 0.33030 0.00000 0.50000 Fe2 0.25800 0.33030 0.00000 0.50000 Ca1 0.23400 0.50000 0.48600 1.00000 Ca2 0.22500 0.18840 0.52600 1.00000 O1 0.39800 0.00000 0.41000 1.00000 O2 0.31600 0.50000 -0.01000 1.00000 O3 0.16900 0.14400 -0.01800 1.00000 O4 -0.01000 0.35300 0.22700 1.00000 O5 0.46900 0.30000 0.28100 1.00000