data_global _amcsd_formula_title 'Ni3 O9 Sr4' loop_ _publ_author_name 'Abraham F' 'Minaud S' 'Renard C' _journal_name_full 'Journal of Materials Chemistry' _journal_volume 4 _journal_year 1994 _journal_page_first 1763 _journal_page_last 1764 _publ_section_title ; Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11 _cod_database_code 1004109 ; _database_code_amcsd 0013072 _chemical_formula_sum 'Sr4 Ni3 O9' _cell_length_a 9.477 _cell_length_b 9.477 _cell_length_c 7.825 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 608.635 _exptl_crystal_density_diffrn 5.488 _symmetry_space_group_name_H-M 'P 3 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '-y,x-y,z' '-x,-x+y,-z' '-x+y,-x,z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr1 0.02330 0.69180 0.24760 1.00000 Sr2 0.32760 0.00000 0.50000 1.00000 Sr3 0.36030 0.00000 0.00000 1.00000 Ni1 0.33333 0.66667 0.10860 1.00000 Ni2 0.33333 0.66667 0.42170 1.00000 Ni3 0.00000 0.00000 0.33830 1.00000 Ni4 0.66667 0.33333 0.23700 0.58000 Ni5 0.00000 0.00000 0.00000 0.65500 Ni6 0.61000 0.27300 0.24100 0.14000 Ni7 0.92400 0.00000 0.00000 0.11500 O1 0.81900 0.50000 0.03800 1.00000 O2 0.15800 0.00700 0.19000 1.00000 O3 0.17200 0.51900 0.26300 1.00000 O4 0.67100 0.17700 0.44500 1.00000 O5 0.84600 0.00000 0.50000 1.00000