data_5910065
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Pages 274 & 280 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931
;
_journal_name_full               'The second edition of Structure of Crystals'
_journal_page_first              274
_journal_page_last               280
_journal_year                    1931
_chemical_formula_structural     Ba(N03)2
_chemical_formula_sum            'Ba N2 O6'
_chemical_name_systematic        'Barium nitrate'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_audit_creation_date             2005-04-11
_audit_creation_method
;
Pages 274 & 280 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.11
_cell_length_b                   8.11
_cell_length_c                   8.11
_cell_volume                     533.412
_cod_database_code               5910065
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y+1/2,-z,x+1/2
z+1/2,-x+1/2,-y
-y,z+1/2,-x+1/2
-z+1/2,-x,y+1/2
-z,x+1/2,-y+1/2
y+1/2,-z+1/2,-x
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x+1/2,-y,z+1/2
-x,-y,-z
-z,-x,-y
-y,-z,-x
y+1/2,z,-x+1/2
-z+1/2,x+1/2,y
y,-z+1/2,x+1/2
z+1/2,x,-y+1/2
z,-x+1/2,y+1/2
-y+1/2,z+1/2,x
-x+1/2,y+1/2,z
x,-y+1/2,z+1/2
x+1/2,y,-z+1/2
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.00000 0.00000 Ba1
0.50000 0.50000 0.00000 Ba2
0.50000 0.00000 0.50000 Ba3
0.00000 0.00000 0.50000 Ba4
0.41000 0.41000 0.41000 N1
0.91000 0.09000 -0.41000 N2
-0.41000 0.91000 0.09000 N3
0.09000 -0.41000 0.91000 N4
0.29000 0.29000 0.49000 O1
0.79000 0.21000 -0.49000 O2
-0.29000 0.79000 0.01000 O3
0.21000 -0.29000 0.99000 O4
loop_
_cell_angle_alpha
90