data_global _amcsd_formula_title 'F5 H2 Mn O Tl2' loop_ _publ_author_name 'Nunez P' 'Tressaud A' 'Darriet J' 'Hagenmuller P' 'Hahn G' 'Frenzen G' 'Massa W' 'Babel D' 'Boireau A' 'Soubeyroux J' _journal_name_full 'Inorganic Chemistry' _journal_volume 31 _journal_year 1992 _journal_page_first 770 _journal_page_last 774 _publ_section_title ; A new linear chain compound: crystal and magnetic structures of Tl2MnF5.H2O _cod_database_code 1008533 ; _database_code_amcsd 0016426 _chemical_formula_sum 'Tl2 Mn F5 O H2' _cell_length_a 9.526 _cell_length_b 7.861 _cell_length_c 8.317 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 622.809 _exptl_crystal_density_diffrn 6.151 _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 Tl1 0.20930 0.29610 0.25000 Mn1 0.00000 0.00000 0.00000 F1 0.00000 -0.01400 0.25000 F2 0.19100 0.00000 0.00000 F3 0.00000 0.23900 0.01500 O1 0.50000 0.05600 0.25000 H1 0.50000 0.12600 0.15200