data_global
_amcsd_formula_title 'Ce3 Cl6 N'
loop_
_publ_author_name
'Ehrlich G'
'Badding M'
'Brese N'
'Trail S'
'DiSalvo F'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 235 
_journal_year 1996
_journal_page_first 133
_journal_page_last 134
_publ_section_title
;
 Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl"
 _cod_database_code 1005022
;
_database_code_amcsd 0012774
_chemical_formula_sum 'Ce3 Cl6 N'
_cell_length_a 10.708
_cell_length_b 11.233
_cell_length_c 16.52699
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1987.915
_exptl_crystal_density_diffrn      4.324
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce1   0.14090   0.02190   0.43670
Ce2   0.33940  -0.03520   0.17730
Ce3   0.01320   0.21050   0.04840
Cl1   0.25190   0.78340   0.45440
Cl2   0.37110   0.06080   0.33990
Cl3   0.10340  -0.08050   0.27220
Cl4   0.64180  -0.03090   0.44710
Cl5   0.16910   0.21050   0.18780
Cl6   0.53110   0.68820   0.37580
N1   0.44810  -0.09290   0.06120
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
Ce1 0.01000 0.01800 0.01300 0.00000 0.00100 -0.00100
Ce2 0.01300 0.02300 0.01200 -0.00100 0.00100 -0.00200
Ce3 0.01200 0.01700 0.01800 -0.00100 0.00000 0.00100
Cl1 0.01600 0.02000 0.03000 0.00100 -0.00500 0.00000
Cl2 0.01800 0.03900 0.01600 -0.00700 0.00300 -0.00700
Cl3 0.01700 0.03300 0.01800 -0.00100 0.00300 -0.00400
Cl4 0.01300 0.02100 0.01900 0.00100 -0.00100 0.00000
Cl5 0.02300 0.02600 0.02400 0.00000 -0.00500 0.00300
Cl6 0.02300 0.02400 0.02400 -0.00400 0.00500 0.00200
N1 0.01100 0.01800 0.01300 -0.00200 0.00300 -0.00100