data_global
_chemical_name_mineral 'Nitrobarite'
loop_
_publ_author_name
'Birnstock R'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 124 
_journal_year 1967
_journal_page_first 310
_journal_page_last 334
_publ_section_title
;
 Erneute strukturbestimmung von bariumnitrat mit neutronenbeugung
;
_database_code_amcsd 0010639
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba N2 O6'
_cell_length_a 8.126
_cell_length_b 8.126
_cell_length_c 8.126
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 536.575
_exptl_crystal_density_diffrn      3.235
_symmetry_space_group_name_H-M 'P 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba   0.00000   0.00000   0.00000   0.01178
N   0.34790   0.34790   0.34790   0.01532
N*   0.64640   0.64640   0.64640   0.01532
O   0.27300   0.28040   0.46860   0.01469
O*   0.70210   0.69650   0.51530   0.01469
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
N 0.00903 0.00903 0.00903 0.00401 0.00401 0.00401
N' 0.00903 0.00903 0.00903 0.00401 0.00401 0.00401
O 0.02141 0.01873 0.01070 0.00234 0.00636 0.00435
O' 0.02141 0.01873 0.01070 0.00234 0.00636 0.00435