data_global _amcsd_formula_title 'Ca3 Fe1.8 Mn1.2 O8' 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 1006024 ; _database_code_amcsd 0014341 _chemical_formula_sum 'Fe1.8 Mn1.2 Ca3 O8' _cell_length_a 5.4761 _cell_length_b 11.1506 _cell_length_c 5.3603 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 327.310 _exptl_crystal_density_diffrn 4.208 _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 0.31470 0.00000 0.05300 1.00000 Mn1 0.25800 0.33140 0.00000 0.60000 Fe2 0.25800 0.33140 0.00000 0.40000 Ca1 0.24200 0.50000 0.49200 1.00000 Ca2 0.22590 0.19080 0.51800 1.00000 O1 0.35500 0.00000 0.42500 1.00000 O2 0.32500 0.50000 0.00000 1.00000 O3 0.17700 0.14700 -0.02300 1.00000 O4 -0.00900 0.35300 0.24800 1.00000 O5 0.48000 0.30380 0.28700 1.00000