data_global _amcsd_formula_title 'As Ca3 N' loop_ _publ_author_name 'Chern M' 'DiSalvo F' 'Parise J' 'Goldstone J' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 96 _journal_year 1992 _journal_page_first 426 _journal_page_last 435 _publ_section_title ; The structural distorsion of the anti-perovskite nitride Ca3AsN _cod_database_code 1005009 ; _database_code_amcsd 0013728 _chemical_formula_sum 'Ca3 N As' _cell_length_a 6.7250 _cell_length_b 6.7198 _cell_length_c 9.5335 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 430.825 _exptl_crystal_density_diffrn 3.225 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca1 0.72100 0.27900 0.01710 Ca2 0.03460 0.49430 0.25000 N1 0.50000 0.00000 0.00000 As1 0.00000 0.01000 0.25000