data_global _amcsd_formula_title 'La1.5 Ni O2.198 Sr0.5' loop_ _publ_author_name 'Medarde M' 'Rodriguez-Carvajal J' _journal_name_full 'Zeitschrift fur Physik' _journal_volume B102 _journal_year 1997 _journal_page_first 307 _journal_page_last 315 _publ_section_title ; Oxygen vacancy ordering in La(2-x) Sr(x) Ni O(4-delta) (0 <= x <=0.5): the crystal structure and defects investigated by neutron diffraction _cod_database_code 1006138 ; _database_code_amcsd 0015866 _chemical_formula_sum '(La1.5 Sr.5) Ni O2.198' _cell_length_a 3.7605 _cell_length_b 3.8600 _cell_length_c 12.6607 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 183.777 _exptl_crystal_density_diffrn 6.253 _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 0.36200 0.75000 Sr1 0.00000 0.00000 0.36200 0.25000 Ni1 0.00000 0.00000 0.00000 1.00000 O1 0.50000 0.00000 0.00000 0.07500 O2 0.00000 0.50000 0.00000 0.12300 O3 0.00000 0.00000 0.17100 1.00000