data_global _amcsd_formula_title 'Ba2 Cl F7 Ni2' 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 1000447 ; _database_code_amcsd 0013926 _chemical_formula_sum 'Ba2 Ni2 Cl F7' _cell_length_a 7.602 _cell_length_b 5.766 _cell_length_c 8.788 _cell_angle_alpha 90 _cell_angle_beta 106.72 _cell_angle_gamma 90 _cell_volume 368.920 _exptl_crystal_density_diffrn 5.045 _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 Ba1 0.31110 0.25000 0.58190 Ba2 0.30730 0.25000 0.06870 Ni1 0.82450 0.25000 0.71820 Ni2 0.81520 0.25000 0.17950 Cl1 0.88320 0.25000 0.47100 F1 0.63230 0.00380 0.15550 F2 0.00230 -0.00350 0.82690 F3 0.63400 0.00660 0.65610 F4 0.75600 0.25000 0.93630