data_global _amcsd_formula_title 'Al2 B2 Ni4 O10' loop_ _publ_author_name 'Schwab A' 'Bertaut E' _journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie' _journal_volume 93 _journal_year 1970 _journal_page_first 255 _journal_page_last 257 _publ_section_title ; Structure du boroaluminate B2 O3 Al2 O3 (Ni O)4 _cod_database_code 1008835 ; _database_code_amcsd 0016704 _chemical_formula_sum '(Ni2 B) Al O5' _cell_length_a 9.2 _cell_length_b 12.2 _cell_length_c 2.99 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 335.598 _exptl_crystal_density_diffrn 4.655 _symmetry_space_group_name_H-M 'P b a m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' 'x,y,-z' '-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni1 0.00000 0.00000 0.50000 0.66670 Ni2 0.50000 0.00000 0.00000 0.66670 Ni3 0.00000 0.28300 0.50000 0.66670 Ni4 0.24400 0.11500 0.00000 0.66670 B1 0.26400 0.36300 0.00000 1.00000 Al1 0.00000 0.00000 0.50000 0.33330 Al2 0.50000 0.00000 0.00000 0.33330 Al3 0.00000 0.28300 0.50000 0.33330 Al4 0.24400 0.11500 0.00000 0.33330 O1 0.14700 -0.04700 0.00000 1.00000 O2 0.12300 0.14000 0.50000 1.00000 O3 0.11300 0.36200 0.00000 1.00000 O4 0.38900 0.08300 0.50000 1.00000 O5 0.35300 0.27100 0.00000 1.00000