data_global _amcsd_formula_title 'Cl5 D2 Fe O Rb2' loop_ _publ_author_name 'Gabas M' 'Palacio F' 'Rodriguez-Carvajal J' 'Visser D' _journal_name_full 'Journal of Physics: Condensed Matter' _journal_volume 7 _journal_year 1995 _journal_page_first 4725 _journal_page_last 4738 _publ_section_title ; Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) _cod_database_code 1006106 ; _database_code_amcsd 0013279 _chemical_formula_sum 'Rb2 Fe Cl5 O D2' _cell_length_a 13.6801 _cell_length_b 9.8471 _cell_length_c 7.0073 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 943.949 _exptl_crystal_density_diffrn 2.984 _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 Rb1 0.35660 0.49920 0.15990 Fe1 0.11470 0.25000 0.19360 Cl1 0.24640 0.25000 0.40230 Cl2 0.22380 0.25000 -0.06650 Cl3 0.00660 0.25000 0.46220 Cl4 0.10320 0.49070 0.17940 O1 -0.00140 0.25000 0.01220 D1 -0.03410 0.32970 -0.04790