data_global _amcsd_formula_title 'La1.6 Ni O3.5 Sr0.4' loop_ _publ_author_name 'Crespin M' 'Bassat J' 'Odier P' 'Mouron P' 'Choisnet J' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 84 _journal_year 1990 _journal_page_first 165 _journal_page_last 170 _publ_section_title ; Synthesis and crystallographic characterization of the mixed-valence reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47 _cod_database_code 1001696 ; _database_code_amcsd 0013671 _chemical_formula_sum '(La1.6 Sr.4) Ni O3.5' _cell_length_a 3.8728 _cell_length_b 3.7242 _cell_length_c 12.767 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 184.139 _exptl_crystal_density_diffrn 6.709 _symmetry_space_group_name_H-M 'I m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La1 0.00000 0.00000 0.36100 0.80000 Sr1 0.00000 0.00000 0.36100 0.20000 Ni1 0.00000 0.00000 0.00000 1.00000 O1 0.00000 0.00000 0.17300 1.00000 O2 0.50000 0.00000 0.00000 0.85000 O3 0.00000 0.50000 0.00000 0.65000