data_global _amcsd_formula_title 'Ba2 Cl F7 Mn Ni' loop_ _publ_author_name 'Fompeyrine J' 'Darriet J' 'Maguer J' 'Greneche J' 'Courbion G' 'Roisnel T' 'Rodriguez-Carvajal J' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 131 _journal_year 1997 _journal_page_first 198 _journal_page_last 214 _publ_section_title ; Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) _cod_database_code 1000448 ; _database_code_amcsd 0013927 _chemical_formula_sum 'Ba2 (Mn Ni) Cl F7' _cell_length_a 7.746 _cell_length_b 5.820 _cell_length_c 8.898 _cell_angle_alpha 90 _cell_angle_beta 106.63 _cell_angle_gamma 90 _cell_volume 384.359 _exptl_crystal_density_diffrn 4.810 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.32300 0.25000 0.57600 1.00000 Ba2 0.32300 0.25000 0.08100 1.00000 Mn1 0.83000 0.25000 0.72300 0.50000 Ni1 0.83000 0.25000 0.72300 0.50000 Mn2 0.79900 0.25000 0.16400 0.50000 Ni2 0.79900 0.25000 0.16400 0.50000 Cl1 0.88100 0.25000 0.46300 1.00000 F1 0.63400 0.00400 0.16100 1.00000 F2 -0.02700 -0.03200 0.82300 1.00000 F3 0.63100 0.00900 0.65600 1.00000 F4 0.74700 0.25000 0.93800 1.00000