data_global _amcsd_formula_title 'La1.94 Ni O3.94 Sr0.06' 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 1006133 ; _database_code_amcsd 0015861 _chemical_formula_sum '(La1.94 Sr.06) Ni O3.94' _cell_length_a 5.4332 _cell_length_b 5.4994 _cell_length_c 12.5734 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 375.685 _exptl_crystal_density_diffrn 7.009 _symmetry_space_group_name_H-M 'B m a b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' 'x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '-x,1/2-y,1/2+z' '1/2-x,1/2-y,+z' '-x,y,z' '1/2-x,y,1/2+z' 'x,-y,-z' '1/2+x,-y,1/2-z' 'x,1/2-y,1/2+z' '1/2+x,1/2-y,+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,-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 -0.01000 0.36310 0.97000 Sr1 0.00000 -0.01000 0.36310 0.03000 Ni1 0.00000 0.00000 0.00000 1.00000 O1 0.25000 0.25000 -0.00800 0.97000 O2 0.00000 0.03600 0.17760 1.00000