data_global _amcsd_formula_title 'Ba3 Ga2 N4' loop_ _publ_author_name 'Yamane H' 'DiSalvo F' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 52 _journal_year 1996 _journal_page_first 760 _journal_page_last 761 _publ_section_title ; Ba3 Ga2 N4 _cod_database_code 1005032 ; _database_code_amcsd 0010307 _chemical_formula_sum 'Ba3 Ga2 N4' _cell_length_a 6.2010 _cell_length_b 10.511 _cell_length_c 10.070 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 656.350 _exptl_crystal_density_diffrn 6.147 _symmetry_space_group_name_H-M 'P n n a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,1/2+y,1/2+z' 'x,1/2-y,1/2-z' '1/2+x,y,-z' '1/2-x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 0.11102 0.34415 0.91335 Ba2 0.25000 0.00000 0.90519 Ga1 0.25000 0.00000 0.22957 Ga2 0.16360 0.25000 0.25000 N1 0.36120 0.14670 0.12810 N2 0.01760 0.09550 0.32940 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ba1 0.00680 0.01020 0.01040 -0.00213 0.00064 -0.00179 Ba2 0.01000 0.01450 0.00900 0.00370 0.00000 0.00000 Ga1 0.00490 0.00630 0.00640 -0.00100 0.00000 0.00000 Ga2 0.00460 0.00550 0.00790 0.00000 0.00000 0.00000 N1 0.01100 0.00600 0.01100 0.00100 0.00200 -0.00300 N2 0.01100 0.00800 0.01100 -0.00400 0.00400 -0.00300