data_global
_amcsd_formula_title 'Ba2 N2 Zn'
loop_
_publ_author_name
'Yamane H'
'DiSalvo F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 119 
_journal_year 1995
_journal_page_first 375
_journal_page_last 379
_publ_section_title
;
 Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2
 _cod_database_code 1005020
;
_database_code_amcsd 0013875
_chemical_formula_sum 'Ba2 Zn N2'
_cell_length_a 4.152
_cell_length_b 4.152
_cell_length_c 13.055
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 225.056
_exptl_crystal_density_diffrn      5.431
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.00000   0.00000   0.34430
Zn1   0.00000   0.00000   0.00000
N1   0.00000   0.00000   0.14110
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 0.01200 0.01200 0.00500 0.00000 0.00000 0.00000
Zn1 0.01200 0.01200 0.00300 0.00000 0.00000 0.00000
N1 0.01600 0.01600 0.01700 0.00000 0.00000 0.00000