data_global
_amcsd_formula_title 'As3 Cd2 I'
loop_
_publ_author_name
'Rebbah A'
'Leclaire A'
'Yazbeck J'
'Deschanvres A'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 35 
_journal_year 1979
_journal_page_first 2197
_journal_page_last 2199
_publ_section_title
;
 Structure de l'iodure de cadmium et d'arsenic Cd2 As3 I
 _cod_database_code 1001837
;
_database_code_amcsd 0009689
_chemical_formula_sum 'I Cd2 As3'
_cell_length_a 8.436
_cell_length_b 9.594
_cell_length_c 7.952
_cell_angle_alpha 90
_cell_angle_beta 100.65
_cell_angle_gamma 90
_cell_volume 632.509
_exptl_crystal_density_diffrn      6.054
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+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
I1   0.24370   0.37342   0.03410
Cd1   0.00000   0.14510   0.00000
Cd2   0.49070   0.14320   0.08070
As1   0.12030   0.04790   0.31760
As2  -0.25820   0.29050   0.03900
As3   0.36930   0.04690  -0.24270
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
I1 0.00485 0.00310 0.01189 -0.00037 0.00173 -0.00025
Cd1 0.00563 0.00414 0.00816 0.00114 0.00224 0.00022
Cd2 0.00558 0.00462 0.00877 -0.00191 0.00179 0.00053
As1 0.00456 0.00368 0.00448 0.00075 0.00052 0.00046
As2 0.00338 0.00243 0.00584 -0.00010 0.00127 0.00017
As3 0.00384 0.00254 0.00595 0.00123 0.00144 0.00055