data_9016517
_publ_section_title
;
 Compounds with the skutterudite type crystal structure.
 III. Structural data for arsenides and antimonides,
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              99
_journal_page_last               103
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Ir'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4673
_cell_length_b                   8.4673
_cell_length_c                   8.4673
_cell_volume                     607.065
_database_code_amcsd             0017608
_exptl_crystal_density_diffrn    9.125
_[local]_cod_cif_authors_sg_H-M  'I m 3'
_[local]_cod_chemical_formula_sum_orig 'Ir As3'
_cod_database_code               9016517
_amcsd_formula_title             IrAs3
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
z,x,-y
1/2+z,1/2+x,1/2-y
z,-x,y
1/2+z,1/2-x,1/2+y
-z,x,y
1/2-z,1/2+x,1/2+y
-z,-x,-y
1/2-z,1/2-x,1/2-y
y,-z,-x
1/2+y,1/2-z,1/2-x
-y,-z,x
1/2-y,1/2-z,1/2+x
-y,z,-x
1/2-y,1/2+z,1/2-x
y,z,x
1/2+y,1/2+z,1/2+x
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
-z,-x,y
1/2-z,1/2-x,1/2+y
-z,x,-y
1/2-z,1/2+x,1/2-y
z,-x,-y
1/2+z,1/2-x,1/2-y
z,x,y
1/2+z,1/2+x,1/2+y
-y,z,x
1/2-y,1/2+z,1/2+x
y,z,-x
1/2+y,1/2+z,1/2-x
y,-z,x
1/2+y,1/2-z,1/2+x
-y,-z,-x
1/2-y,1/2-z,1/2-x
-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
_atom_site_U_iso_or_equiv
Ir 0.25000 0.25000 0.25000 0.00633
As 0.00000 0.34770 0.14540 0.00633
